SCHEMBL29509486

SCHEMBL29509486

Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR1H2 P55055 11/20 0.47
NR1H3 Q13133 11/20 0.47
MLYCD O95822 1/20 0.46
AR P10275 2/20 0.43
RORC P51449 2/20 0.42
RORA P35398 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL17709790 1.00 MEN1 (0.47) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL20919574 0.86 MEN1 (0.46) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL17717292 0.82 HSD11B1 (0.44)
SCHEMBL309960 0.81 NR1H2 (0.52) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL17711481 0.80 AR (0.43) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL30320948 0.80 AR (0.43) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL7101194 0.80 SMN1; SMN2 (0.55) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL3952493 0.79 ESR1 (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL5368422 0.79 CYP1A2 (0.36) MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL29380184 0.79 PDE2A (0.42) TSHRMAPK1

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
CN-108064224-B Amide-substituted thiazoles as modulators of Ror gamma t 詹森药业有限公司 2022-03-29 CN disclosed