SCHEMBL10429281

SCHEMBL10429281

C(=N/n1ccnc1)\c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.42
GAA P10253 2/20 0.42
CYP3A4 P08684 1/20 0.41
AMY1A P0DUB6 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
APOBEC3G Q9HC16 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
SCHEMBL9662024 1.00 MAPT (0.50) MAPTLMNAMEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL27672121 0.98 MAPT (0.49) MAPTLMNAMEN1KMT2AALOX15
SCHEMBL2494933 0.76 LMNA (0.79) MAPTLMNACYP3A4AMY1AALDH1A1
SCHEMBL2494935 0.76 LMNA (0.79) MAPTLMNACYP3A4AMY1AALDH1A1
SCHEMBL11242364 0.70 CYP3A4 (0.38) MAPTLMNAMEN1KMT2AALOX15
SCHEMBL9661029 0.68 CYP1A2 (0.69) MAPTLMNAMEN1KMT2AALOX15
SCHEMBL9661025 0.68 CYP1A2 (0.69) MAPTLMNAMEN1KMT2AALOX15
SCHEMBL28002652 0.68 CYP3A4 (0.42) MAPTLMNAMEN1KMT2AALOX15
SCHEMBL11563938 0.68 CYP3A4 (0.42) MAPTLMNAMEN1KMT2AALOX15
SCHEMBL10429289 0.68 MEN1 (0.50) MAPTLMNAMEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4908363-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1990-03-13 US disclosed