SCHEMBL7949930

SCHEMBL7949930

COc1ccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
GPX4 P36969 3/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43

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
SCHEMBL7960446 0.87 RAB9A (0.57) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL7420636 0.86 SMN1; SMN2 (0.47) RAB9ANPC1KMT2ASMN1; SMN2POLB
SCHEMBL7959855 0.84 LMNA (0.44) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL7418952 0.83 RAB9A (0.44) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL7411535 0.82 SMN1; SMN2 (0.55) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL7961855 0.82 SMN1; SMN2 (0.55) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL7416321 0.82 MAPT (0.47) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL7950029 0.82 RAB9A (0.44) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL7418016 0.81 KMT2A (0.51) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL7964564 0.81 USP2 (0.51) MAPTRAB9ANPC1KMT2ASMN1; 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-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