SCHEMBL6528316

SCHEMBL6528316

OCc1nc(Cc2ccccc2)no1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 1/20 0.57
NOTUM Q6P988 2/20 0.54
CHUK O15111 1/20 0.54
TXNRD1 Q16881 1/20 0.54
NOX4 Q9NPH5 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 6/20 0.49
LMNA P02545 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
GLA P06280 1/20 0.48
MAPT P10636 2/20 0.47
S1PR1 P21453 1/20 0.44

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
SCHEMBL10951436 0.86 TDP1 (0.57) MAPK1TDP1TSHRNOTUMCHUK
SCHEMBL835436 0.83 MAPK1 (0.52) MAPK1TDP1TSHRCHUKTXNRD1
SCHEMBL6980080 0.83 MAPT (0.57) MAPK1TDP1TSHRNOTUML3MBTL1
SCHEMBL11638729 0.82 MAPK1 (0.61) MAPK1TDP1TSHRCHUKTXNRD1
SCHEMBL26416251 0.82 MAPK1 (0.70) MAPK1TDP1TSHRCHUKTXNRD1
SCHEMBL7979628 0.82 MAPK1 (0.57) MAPK1TDP1TSHRCHUKTXNRD1
SCHEMBL92379 0.82 MAPK1 (0.57) MAPK1TDP1TSHRCHUKTXNRD1
SCHEMBL11553918 0.81 MAPK1 (0.54) MAPK1TDP1TSHRCHUKTXNRD1
SCHEMBL3105661 0.81 MAPK1 (0.50) MAPK1TDP1TSHRCHUKTXNRD1
Hydrochloric Acid SCHEMBL12478354 0.81 MAPK1 (0.56) MAPK1TDP1TSHRCHUKTXNRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed