SCHEMBL7958288

SCHEMBL7958288

O=C(Nc1c(F)cc(F)cc1Br)C1=C(O)CCc2c1nc1ccccn21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL7964346 0.93 KMT2A (0.41) KMT2AALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL7412623 0.85 IGF1R (0.45) KMT2AALDH1A1HPGDPOLBKDM4E
SCHEMBL7418615 0.83 KCNK3 (0.45) KMT2AALDH1A1HPGDTHRBPOLB
SCHEMBL7958270 0.82 SMN1; SMN2 (0.33) KMT2ASMN1; SMN2
SCHEMBL7964544 0.82 KMT2A (0.42) KMT2AALDH1A1HPGDPOLBKDM4E
SCHEMBL7957484 0.81 POLB (0.45) POLB
SCHEMBL7961855 0.81 SMN1; SMN2 (0.55) KMT2AALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL7418114 0.80 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL7416321 0.79 MAPT (0.47) KMT2ASMN1; SMN2KDM4E
SCHEMBL7418952 0.78 RAB9A (0.44) KMT2ASMN1; 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