SCHEMBL7964346

SCHEMBL7964346

O=C(Nc1c(F)cc(F)cc1F)C1=C(O)CCc2c1nc1ccccn21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
IGF1R P08069 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NTRK1 P04629 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
SCHEMBL7958288 0.93 KMT2A (0.42) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL7412623 0.92 IGF1R (0.45) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL7958270 0.88 SMN1; SMN2 (0.33) KMT2ASMN1; SMN2
SCHEMBL7418615 0.88 KCNK3 (0.45) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL7964544 0.86 KMT2A (0.42) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL7418114 0.86 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL7957484 0.85 POLB (0.45) POLB
SCHEMBL7961855 0.85 SMN1; SMN2 (0.55) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL7964298 0.83 IGF1R (0.37) KMT2AIGF1R
SCHEMBL7418952 0.82 RAB9A (0.44) KMT2ASMN1; SMN2NTRK1

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