SCHEMBL29528616

SCHEMBL29528616

C[C@@](O)(Cc1csc(C(N)=O)n1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
SCN9A Q15858 1/20 0.34
CFTR P13569 10/20 0.32
GABRA5 P31644 1/20 0.31
GABRB2 P47870 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL28883226 0.84 KMT2A (0.38) MEN1ALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL4963513 0.79 MEN1 (0.39) MEN1ALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL13412495 0.75 ALDH1A1 (0.38) MEN1ALDH1A1KMT2AGABRA5GABRB2
SCHEMBL17717276 0.74 KMT2A (0.44) MEN1ALDH1A1KMT2AGABRA5GABRB2
SCHEMBL4911470 0.72 KMT2A (0.39) MEN1ALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL29528822 0.72 CYP3A4 (0.34) MEN1ALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL29528876 0.71 ALDH1A1 (0.43) MEN1ALDH1A1KMT2ACYP3A4GABRA5
SCHEMBL5988033 0.71 SMN1; SMN2 (0.49) MEN1ALDH1A1KMT2AGABRA5GABRB2
SCHEMBL2745279 0.71 GABRA5 (0.46) MEN1ALDH1A1KMT2AGABRA5GABRB2
SCHEMBL4902324 0.71 ALDH1A1 (0.38) MEN1ALDH1A1KMT2ACYP3A4CYP2D6

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-109415358-B 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators 詹森药业有限公司 2022-04-05 CN disclosed