SCHEMBL5780265

SCHEMBL5780265

Nc1cnn(Cc2nc(-c3ccc(F)cc3)cs2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX5 P09917 1/20 0.50
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GALR3 O60755 1/20 0.41
MAPK1 P28482 2/20 0.40
ATP4A P20648 2/20 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
Hydrochloric Acid SCHEMBL5782285 0.99 RAB9A (0.49) RAB9AALDH1A1ALOX5NPC1MEN1
SCHEMBL5782556 0.90 LOXL2 (0.41) RAB9AALDH1A1ALOX5NPC1MEN1
Hydrochloric Acid SCHEMBL5781667 0.88 TAAR1 (0.43) RAB9AALDH1A1ALOX5NPC1MEN1
SCHEMBL5785031 0.87 MAPT (0.50) RAB9AALDH1A1NPC1MEN1LMNA
SCHEMBL5784983 0.87 LMNA (0.50) RAB9AALDH1A1NPC1MEN1LMNA
SCHEMBL5785113 0.87 LOXL2 (0.51) RAB9AALDH1A1NPC1MEN1LMNA
Hydrochloric Acid SCHEMBL5782523 0.86 LMNA (0.49) RAB9AALDH1A1NPC1MEN1LMNA
Hydrochloric Acid SCHEMBL5781236 0.86 MAPT (0.49) RAB9AALDH1A1NPC1MEN1LMNA
Hydrochloric Acid SCHEMBL5779357 0.86 TAAR1 (0.52) RAB9AALDH1A1NPC1MEN1LMNA
SCHEMBL5783174 0.84 MAPT (0.53) RAB9AALDH1A1NPC1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636219-B1 NOVEL THIAZOLYLMETHYL PYRAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF IN DYES FOR KERATIN FIBERS WELLA AG (DE) 2006-11-02 EP claimed