SCHEMBL7964544

SCHEMBL7964544

O=C(Nc1cc(F)ccc1F)C1=C(O)CCc2c1nc1ccccn21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KIT P10721 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 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
SCHEMBL7418615 0.92 KCNK3 (0.45) KMT2AHDAC3HDAC7HDAC9HDAC5
SCHEMBL7957484 0.90 POLB (0.45) POLB
SCHEMBL7958091 0.87 HDAC3 (0.42) KMT2AHDAC3HDAC7HDAC9HDAC5
SCHEMBL7964346 0.86 KMT2A (0.41) KMT2AKDM4EALDH1A1HPGDPOLB
SCHEMBL7961855 0.85 SMN1; SMN2 (0.55) KMT2AKDM4EALDH1A1HPGDPOLB
SCHEMBL7961404 0.85 EPHB3 (0.39)
SCHEMBL7412623 0.83 IGF1R (0.45) KMT2AKDM4EALDH1A1HPGDPOLB
SCHEMBL7413083 0.83 HDAC1 (0.42) HDAC3HDAC7HDAC9HDAC5NCOR2
SCHEMBL7964531 0.83 CSNK1D (0.40) POLB
SCHEMBL7964125 0.82 NTRK1 (0.43) KMT2AKDM4EALDH1A1HPGDPOLB

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