SCHEMBL8575681

SCHEMBL8575681

N#CCC(=O)NCc1ccc(N=C=S)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.60
▸ P2RY6 Q15077 2/20 0.46
▸ TPSAB1 Q15661 7/20 0.44
▸ PRSS1 P07477 3/20 0.44
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ CHRM1 P11229 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL8579571 0.86 P2RY6 (0.51) MCL1P2RY6KEAP1NFE2L2HSD17B10
SCHEMBL12390499 0.83 MCL1 (0.66) MCL1TPSAB1PRSS1HSD17B10LMNA
SCHEMBL7686611 0.78 KMT2A (0.53) P2RY6TPSAB1PRSS1HSD17B10CHRM1
SCHEMBL29249541 0.78 MCL1 (0.72) MCL1TPSAB1LMNA
SCHEMBL2264964 0.76 MCL1 (0.70) MCL1LMNACA1CA2
SCHEMBL12389322 0.76 MCL1 (0.70) MCL1TPSAB1CA1CA2
SCHEMBL2260845 0.76 MCL1 (0.70) MCL1CA1CA2
SCHEMBL2268566 0.76 MCL1 (0.70) MCL1TPSAB1LMNACA1CA2
SCHEMBL2263200 0.76 MCL1 (0.70) MCL1LMNA
SCHEMBL8578080 0.76 P2RY6 (0.42) P2RY6TPSAB1PRSS1HSD17B10

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
WO-1998016826-A1 IMMUNOASSAY FOR THE DETECTION AND MEASUREMENT OF 2,2-DIBROMO-3-NITRILOPROPIONAMIDE THE DOW CHEMICAL COMPANY (US) 1998-04-23 — — WO disclosed
Send feedback