SCHEMBL7960459

SCHEMBL7960459

Cc1cccn2c3c(nc12)C(C(=O)Nc1ccccc1)=C(O)CC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL7964545 0.91 TYK2 (0.43) GAATP53MAPTKMT2ALMNA
SCHEMBL7959638 0.86 CACNA1B (0.42) SMN1; SMN2LMNANPC1
SCHEMBL7418952 0.83 RAB9A (0.44) GAASMN1; SMN2KMT2ALMNARAB9A
SCHEMBL7959624 0.79 NPC1 (0.48) GAATP53MAPTSMN1; SMN2KMT2A
SCHEMBL7959855 0.76 LMNA (0.44) GAATP53MAPTSMN1; SMN2KMT2A
SCHEMBL7415629 0.76 TMPRSS4 (0.40) MAPTRAB9ANPC1ALDH1A1
SCHEMBL7415683 0.76 RAB9A (0.42) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL7411535 0.75 SMN1; SMN2 (0.55) GAAMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL7416321 0.75 MAPT (0.47) GAAMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL7961855 0.75 SMN1; SMN2 (0.55) GAATP53MAPTSMN1; SMN2KMT2A

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