SCHEMBL30885403

SCHEMBL30885403

O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1c[nH]c2ncc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.52
▸ STING1 Q86WV6 5/20 0.44
▸ NTRK1 P04629 1/20 0.42
▸ TRPV1 Q8NER1 6/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ KCNK2 O95069 2/20 0.39
▸ KCNK10 P57789 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ABL1 P00519 1/20 0.37

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
SCHEMBL30885427 0.88 NTRK1 (0.45) BRAFSTING1NTRK1TRPV1NPC1
SCHEMBL30885436 0.87 STING1 (0.46) BRAFSTING1NTRK1TRPV1NPC1
SCHEMBL21988042 0.86 STING1 (0.58) BRAFSTING1TRPV1RAB9A
SCHEMBL30885389 0.83 STING1 (0.57) STING1TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL30885385 0.81 STING1 (0.57) STING1NPC1RAB9ASMN1; SMN2KIF11
SCHEMBL30885443 0.77 STING1 (0.47) STING1TRPV1NPC1RAB9AKIF11
SCHEMBL30885419 0.77 STING1 (0.47) STING1TRPV1NPC1RAB9AKIF11
SCHEMBL30386163 0.76 STING1 (0.50) STING1TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL30885386 0.75 STING1 (0.58) STING1TRPV1KIF11KCNK2ALDH1A1
SCHEMBL30885437 0.75 STING1 (0.58) STING1NPC1RAB9ASMN1; SMN2KIF11

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-117756698-A Urea compound and medical application thereof as STING inhibitor 中国药科大学 2024-03-26 — — CN disclosed
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