SCHEMBL7961855

SCHEMBL7961855

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.42
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
POLB P06746 1/20 0.40
NTRK1 P04629 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7959855 0.91 LMNA (0.44) SMN1; SMN2HPGDLMNAGLARAB9A
SCHEMBL7418952 0.91 RAB9A (0.44) SMN1; SMN2LMNAGLARAB9AKMT2A
SCHEMBL7411535 0.89 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL7416321 0.89 MAPT (0.47) SMN1; SMN2KDM4EKCNK3KCNK9LMNA
SCHEMBL7958240 0.88 IKBKE (0.41) SMN1; SMN2KDM4ELMNAGLARAB9A
SCHEMBL7412773 0.87 LMNA (0.41) SMN1; SMN2HPGDLMNAGLARAB9A
SCHEMBL7960446 0.86 RAB9A (0.57) SMN1; SMN2ALDH1A1KDM4ELMNAGLA
SCHEMBL7964564 0.86 USP2 (0.51) SMN1; SMN2ALDH1A1HPGDLMNAGLA
SCHEMBL7418615 0.85 KCNK3 (0.45) ALDH1A1KDM4EHPGDKCNK3KCNK9
SCHEMBL7964544 0.85 KMT2A (0.42) ALDH1A1KDM4EHPGDLMNAKMT2A

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