SCHEMBL19186982

SCHEMBL19186982

Cc1ccc(N[SH](=O)=O)c2[nH]ccc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ GOT1 P17174 1/20 0.30

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
SCHEMBL24762611 0.76 PABPC1 (0.33) AXLPRKCICCR8GOT1
SCHEMBL25667793 0.75 BTK (0.46) GOT1
SCHEMBL806532 0.72 CFB (0.40) AXLPRKCICCR8GOT1
SCHEMBL24762761 0.70 MAPT (0.46) GOT1
SCHEMBL25032367 0.70 CA12 (0.32) —
SCHEMBL24872829 0.67 OPRK1 (0.39) AXLPRKCICCR8
SCHEMBL27580004 0.67 TDP2 (0.32) —
SCHEMBL20350309 0.67 ALDH1A1 (0.36) CCR8
SCHEMBL2983820 0.66 ALDH1A1 (0.38) AXLPRKCICCR8
SCHEMBL806287 0.66 TNF (0.39) AXLPRKCICCR8

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-2509600-B1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS INC (US) 2017-08-02 — — EP disclosed
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