SCHEMBL4615256

SCHEMBL4615256

Cc1nc(-c2cc(N)ccc2N)sc1CCO.Nc1ccc(N)c(-c2nc(-c3ccccc3)cs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 6/20 0.44
PLAU P00749 5/20 0.44
SREBF2 Q12772 3/20 0.40
GFER P55789 1/20 0.39
SRC P12931 1/20 0.39
ZAP70 P43403 1/20 0.39
SYK P43405 1/20 0.39
TKT P29401 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AR P10275 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6319677 0.86 SRC (0.46) SRCZAP70SYKTKTNPC1
SCHEMBL1821128 0.81 ALDH1A1 (0.54) C1SPLAUSREBF2LOXL2NPC1
SCHEMBL1818589 0.73 RAB9A (0.55) C1SPLAUSREBF2GFERNPC1
SCHEMBL260421 0.73 LMNA (0.54) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL263873 0.71 SRC (0.46) SRCZAP70SYKNPC1MAPT
SCHEMBL1823007 0.71 KDM4E (0.53) SREBF2LOXL2NPC1MAPTRAB9A
SCHEMBL1206446 0.70 ALDH1A1 (0.61) C1SPLAUSREBF2NPC1MAPT
SCHEMBL1820141 0.70 C1S (0.49) C1SNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL207818 0.68 CYP19A1 (0.64) NPC1MAPTRAB9AALDH1A1KDM4E
SCHEMBL207728 0.68 CYP19A1 (0.59) GFERNPC1MAPTRAB9ASMN1; 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-1351945-B1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2008-01-23 EP disclosed