SCHEMBL7428403

SCHEMBL7428403

N#Cc1ccc(CC(=O)Nc2ccccc2C(N)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.64
SIRT2 Q8IXJ6 1/20 0.53
RORC P51449 2/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPK10 P53779 1/20 0.46
HPGD P15428 2/20 0.46
ROCK2 O75116 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL18132382 0.89 ALDH1A1 (0.62) MAPK8RORCLMNAALDH1A1KDM4E
SCHEMBL28926532 0.85 RORC (0.49) MAPK8RORCLMNAALDH1A1KDM4E
SCHEMBL3628197 0.84 SIRT2 (0.70) MAPK8SIRT2LMNAALDH1A1KDM4E
SCHEMBL12700241 0.82 HPGD (0.70) MAPK8RORCLMNASMN1; SMN2L3MBTL1
SCHEMBL8636891 0.81 NPC1 (0.64) MAPK8SIRT2LMNAALDH1A1KDM4E
SCHEMBL8643674 0.78 KMT2A (0.69) MAPK8SIRT2LMNAALDH1A1KDM4E
SCHEMBL4646586 0.77 MAPK9 (0.63) SIRT2MAPK10
SCHEMBL20083575 0.76 IDO1 (0.67) MAPK8RORCLMNAALDH1A1SMN1; SMN2
SCHEMBL9448420 0.75 NPC1 (0.59) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL5443977 0.75 RORC (0.72) RORCLMNAALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed