SCHEMBL18569245

SCHEMBL18569245

CN(C)c1sc(-c2cccnc2)nc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX5 P09917 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2A6 P11509 3/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 1/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP19A1 P11511 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AXL P30530 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
SCHEMBL13047492 0.82 MAPT (0.44) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL290269 0.80 PAX8 (0.43) MEN1MAPTKMT2ACYP3A4CYP1A2
SCHEMBL25581884 0.80 MAPT (0.38) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL18569016 0.80 CYP3A4 (0.56) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL13074523 0.78 NPC1 (0.48) RAB9ANPC1MEN1KMT2AALOX5
SCHEMBL18569363 0.78 RAB9A (0.48) RAB9ANPC1MAPTALOX5CYP3A4
SCHEMBL14636639 0.78 CYP1A2 (0.52) MEN1MAPTKMT2AALOX5CYP3A4
SCHEMBL14637387 0.78 MEN1 (0.47) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL13047484 0.78 CDC7 (0.43) MEN1MAPTKMT2ACYP3A4CYP1A2
SCHEMBL25580818 0.78 PIK3CG (0.32)

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-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed