SCHEMBL5783174

SCHEMBL5783174

COc1ccc(-c2csc(Cn3ncc(N)c3N)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 4/20 0.53
POLB P06746 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 3/20 0.51
PKM P14618 1/20 0.51
OPRK1 P41145 1/20 0.51
LTA4H P09960 1/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
GAA P10253 1/20 0.43

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 SCHEMBL5782004 0.99 MAPT (0.52) MAPTRAB9AALDH1A1NPC1POLB
SCHEMBL5782556 0.86 LOXL2 (0.41) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL5781667 0.85 TAAR1 (0.43) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5780265 0.84 RAB9A (0.50) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL5784983 0.84 LMNA (0.50) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5785031 0.84 MAPT (0.50) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5785113 0.84 LOXL2 (0.51) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL5781236 0.83 MAPT (0.49) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL5782285 0.83 RAB9A (0.49) MAPTRAB9AALDH1A1NPC1MEN1
Hydrochloric Acid SCHEMBL5782523 0.83 LMNA (0.49) MAPTRAB9AALDH1A1NPC1SMN1; SMN2

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