SCHEMBL30885433

SCHEMBL30885433

O=C(Nc1ccc(CCSC(F)(F)F)cc1)Nc1c[nH]c2ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 12/20 0.53
▸ MAPT P10636 3/20 0.41
▸ ADRB3 P13945 2/20 0.40
▸ NOTUM Q6P988 2/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ MPO P05164 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL30885423 0.94 STING1 (0.51) STING1MAPTNOTUMMTNR1AMTNR1B
SCHEMBL30885377 0.92 STING1 (0.49) STING1MAPTNOTUMMPOKMT2A
SCHEMBL30885374 0.90 STING1 (0.48) STING1MAPTADRB3SMN1; SMN2
SCHEMBL30885428 0.90 STING1 (0.55) STING1MAPTNOTUMMTNR1AMTNR1B
SCHEMBL30885381 0.89 STING1 (0.52) STING1
SCHEMBL30885442 0.85 STING1 (0.46) STING1MAPTMPOSMN1; SMN2
SCHEMBL30885434 0.84 STING1 (0.53) STING1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL30885446 0.83 STING1 (0.50) STING1
SCHEMBL30885399 0.83 STING1 (0.52) STING1MAPTMPOKDM4EALDH1A1
SCHEMBL30885460 0.83 STING1 (0.45) STING1MAPTKDM4EALDH1A1

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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