SCHEMBL7961760

SCHEMBL7961760

CSc1cnccc1NC(=O)C1=C(O)CCn2c1nc1ccccc12

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
HPGD P15428 1/20 0.62
KMT2A Q03164 1/20 0.62
ESR1 P03372 1/20 0.59
MAPT P10636 1/20 0.59
PTK2B Q14289 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL7420374 0.85
SCHEMBL7964527 0.85
SCHEMBL7959617 0.81 POLB (0.72) POLBHPGDKMT2AESR1MAPT
SCHEMBL7958238 0.81 POLB (0.80) POLBHPGDKMT2AMAPT
SCHEMBL7949792 0.80 POLB (0.72) POLBHPGDKMT2AMAPT
SCHEMBL8873034 0.78 POLB (0.66) POLBHPGDKMT2AMAPT
SCHEMBL7418609 0.78 MAPT (0.71) POLBHPGDKMT2AESR1MAPT
SCHEMBL7957481 0.78
SCHEMBL7413078 0.78 MAPT (0.71) POLBHPGDKMT2AESR1MAPT
SCHEMBL7964315 0.78 POLB (0.71) POLBHPGDKMT2AMAPT

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