SCHEMBL7960446

SCHEMBL7960446

COc1ccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TUBB4A P04350 3/20 0.47
TUBB P07437 3/20 0.47
TUBA3C P0DPH7 3/20 0.47
TUBA1B P68363 3/20 0.47
TUBA4A P68366 3/20 0.47
TUBB4B P68371 3/20 0.47
TUBB3 Q13509 3/20 0.47
TUBB2A Q13885 3/20 0.47
TUBB8 Q3ZCM7 3/20 0.47
TUBA3E Q6PEY2 3/20 0.47
TUBA1A Q71U36 3/20 0.47
TUBA1C Q9BQE3 3/20 0.47
TUBB6 Q9BUF5 3/20 0.47
TUBB2B Q9BVA1 3/20 0.47
TUBB1 Q9H4B7 3/20 0.47

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
SCHEMBL7420636 0.89 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2MAPK1ALDH1A1MEN1
SCHEMBL7959855 0.88 LMNA (0.44) RAB9ASMN1; SMN2MAPK1MAPTKMT2A
SCHEMBL7418952 0.88 RAB9A (0.44) RAB9ASMN1; SMN2KMT2ANPC1LMNA
SCHEMBL7964418 0.88 RAB9A (0.44) RAB9ASMN1; SMN2MAPK1MAPTMEN1
SCHEMBL7949930 0.87 MAPT (0.54) RAB9ASMN1; SMN2MAPK1MAPTTUBB4A
SCHEMBL7961855 0.86 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2MAPK1MAPTALDH1A1
SCHEMBL7411535 0.86 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2MAPK1MAPTALDH1A1
SCHEMBL7416321 0.86 MAPT (0.47) RAB9ASMN1; SMN2MAPK1MAPTTUBB4A
SCHEMBL7964564 0.86 USP2 (0.51) RAB9ASMN1; SMN2MAPK1MAPTALDH1A1
SCHEMBL7958240 0.85 IKBKE (0.41) RAB9ASMN1; SMN2MAPTKMT2ANPC1

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-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US claimed
US-6218384-B1 FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US disclosed