SCHEMBL7959855

SCHEMBL7959855

O=C(Nc1ccc(O)cc1)C1=C(O)CCc2c1nc1ccccn21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.42
USP7 Q93009 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
NTRK1 P04629 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX5 P09917 1/20 0.39

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
SCHEMBL7418952 0.93 RAB9A (0.44) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7411535 0.91 SMN1; SMN2 (0.55) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7416321 0.91 MAPT (0.47) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7961855 0.91 SMN1; SMN2 (0.55) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7958240 0.90 IKBKE (0.41) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7412773 0.89 LMNA (0.41) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7960446 0.88 RAB9A (0.57) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7964564 0.88 USP2 (0.51) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7415153 0.87 MAPT (0.44) LMNAGLASMN1; SMN2RAB9ANPC1
SCHEMBL7673411 0.86 HRH3 (0.48) LMNASMN1; SMN2RAB9ANPC1GAA

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