SCHEMBL7413078

SCHEMBL7413078

Nc1ccccc1NC(=O)C1=C(O)CCn2c1nc1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.71
ESR1 P03372 1/20 0.71
PTK2B Q14289 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
POLB P06746 1/20 0.68
HPGD P15428 1/20 0.68
KMT2A Q03164 1/20 0.68
KDM4E B2RXH2 1/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67

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
SCHEMBL7957481 0.89
SCHEMBL7959617 0.88 POLB (0.72) MAPTESR1PTK2BTDP1POLB
SCHEMBL7418609 0.87 MAPT (0.71) MAPTESR1PTK2BTDP1POLB
SCHEMBL7961315 0.84 MAPT (0.67) MAPTESR1PTK2BTDP1POLB
SCHEMBL7960878 0.84 KDM4E (0.87) MAPTPOLBHPGDKMT2AKDM4E
SCHEMBL7418612 0.83 ESR1 (0.63) MAPTESR1PTK2BTDP1
SCHEMBL7420472 0.83 ESR1 (0.66) MAPTESR1PTK2BTDP1
SCHEMBL7964123 0.83 ESR1 (0.66) MAPTESR1PTK2BTDP1
SCHEMBL7964539 0.83
SCHEMBL7412619 0.82 POLB (0.68) POLBHPGDKMT2A

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 4 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
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO disclosed