SCHEMBL9047239

SCHEMBL9047239

Nc1nc(-c2ccc(CCCl)cc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.61
ALDH1A1 P00352 6/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
KMT2A Q03164 1/20 0.56
RELA Q04206 1/20 0.56
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
ALOX5 P09917 1/20 0.56
CYP3A4 P08684 1/20 0.51
POLB P06746 1/20 0.51
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
Bromide SCHEMBL9519317 0.98 LTA4H (0.59) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL9044725 0.89 LTA4H (0.56) LTA4HALDH1A1RAB9ANPC1MAPT
Bromide SCHEMBL9519251 0.87 LTA4H (0.55) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL8146192 0.84 LTA4H (0.63) LTA4HALDH1A1RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL28758579 0.83 LTA4H (0.61) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL3129405 0.83 LTA4H (0.64) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL10697351 0.81 GAA (0.53) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL1771825 0.81 ALDH1A1 (0.79) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL13825294 0.80 LTA4H (0.67) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL10087445 0.80 LTA4H (0.60) LTA4HALDH1A1RAB9ANPC1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372776-B1 Arylpiperidine derivatives PFIZER (US) 1996-09-25 EP disclosed
US-5294619-A N-(nitrogen-containing heterocyclylalkyl-phenyl-piperidines PFIZER INC. (US) 1994-03-15 US disclosed
US-5153206-A Neuroleptic agents for treating psychological disorders PFIZER INC. (US) 1992-10-06 US disclosed
WO-1990006303-A1 ARYLPIPERIDINE DERIVATIVES PFIZER INC. (US) 1990-06-14 WO disclosed
EP-0372776-A2 Arylpiperidine derivatives PFIZER INC. (US) 1990-06-13 EP disclosed
EP-0279598-A2 Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1988-08-24 EP disclosed