SCHEMBL21648038

SCHEMBL21648038

C=CCn1c(NC(=O)c2cc(C)n[nH]2)nc2cc(C(N)=O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ STING1 Q86WV6 12/20 0.50
▸ TBK1 Q9UHD2 1/20 0.50
▸ PTGER4 P35408 2/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ MAP3K7 O43318 1/20 0.43

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
SCHEMBL19436572 0.80 STING1 (0.78) NPC1RAB9ARXFP1STING1TBK1
SCHEMBL19448908 0.79 PTGER4 (0.55) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL24175826 0.76 STING1 (0.65) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL19451618 0.75 STING1 (0.80) NPC1RAB9ARXFP1STING1TBK1
SCHEMBL23709401 0.74 STING1 (0.56) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL19436552 0.72 PTGER4 (0.56) KMT2APTGER4
SCHEMBL25865649 0.72 STING1 (0.71) STING1TBK1
SCHEMBL22135068 0.72 STING1 (0.62) RXFP1KMT2AMEN1STING1TBK1
SCHEMBL19451632 0.72 STING1 (0.81) STING1TBK1
SCHEMBL29702138 0.72 STING1 (0.81) STING1TBK1

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-3440072-B1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-01-29 — — EP disclosed
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