SCHEMBL11117869

SCHEMBL11117869

c1ccc(-n2cnnc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLD1 Q13393 1/20 0.44
EP300 Q09472 1/20 0.42
KAT2B Q92831 1/20 0.42
GRM5 P41594 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
METAP1 P53582 1/20 0.40
BLM P54132 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1437298 0.78 PLD1 (0.50) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL30569109 0.78 PLD1 (0.50) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
Ammonia Solution, Strong SCHEMBL28277848 0.76 PLD1 (0.48) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL29401947 0.76 CYP3A4 (0.55) ALDH1A1HSD17B10TDP1KDM4ELMNA
SCHEMBL117382 0.76 CYP3A4 (0.55) ALDH1A1HSD17B10TDP1KDM4ELMNA
Hydrochloric Acid SCHEMBL6446846 0.74 CYP3A4 (0.53) ALDH1A1HSD17B10TDP1KDM4ELMNA
SCHEMBL1901909 0.74 POLB (0.42) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL31095576 0.73 NOS3 (0.45) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL30337851 0.73 SMN1; SMN2 (0.43) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL22199029 0.73 EGLN2 (0.60) POLBSMN1; SMN2ALDH1A1HTTHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104926886-A Triazole Fe(II) magnetic complex with dimensional plane porous frame structure, and synthesis method and application thereof UNIV TIANJIN NORMAL 2015-09-23 CN claimed
CN-104761590-A A triazole Fe (II) magnetic complex having a one-dimensional double-chain frame structure, a high-temperature synthesis method thereof and applications of the complex UNIV TIANJIN NORMAL 2015-07-08 CN claimed
CN-106170486-B Novel indazolecarboxamides, method for the production thereof, pharmaceutical preparations containing the same and use thereof for producing medicaments 拜耳医药股份有限公司 2019-01-15 CN disclosed
CN-106488912-A Inhibitors of renal outer medullary potassium channels 默沙东公司 2017-03-08 CN disclosed
CN-106170486-A Novel indazolecarboxamides, method for the production thereof, pharmaceutical preparations containing the same and use thereof for producing medicaments 拜耳医药股份有限公司 2016-11-30 CN disclosed
CN-104926886-A Triazole Fe(II) magnetic complex with dimensional plane porous frame structure, and synthesis method and application thereof UNIV TIANJIN NORMAL 2015-09-23 CN disclosed
CN-104761590-A A triazole Fe (II) magnetic complex having a one-dimensional double-chain frame structure, a high-temperature synthesis method thereof and applications of the complex UNIV TIANJIN NORMAL 2015-07-08 CN disclosed
CN-102190686-B Binuclear Fe(II) complex of 4-(2-pyridin-)-1,2,4-triazol and application thereof UNIV TIANJIN NORMAL 2013-12-11 CN disclosed
CN-102190686-A Binuclear Fe(II) complex of 4-(2-pyridin-)-1,2,4-triazol and application thereof UNIV TIANJIN NORMAL 2011-09-21 CN disclosed
WO-2011035064-A2 TRIAZOLE CATALYSTS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-03-24 WO disclosed
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP disclosed