SCHEMBL30885434

SCHEMBL30885434

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 13/20 0.53
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL30885428 0.85 STING1 (0.55) STING1MAPTKDM4EALDH1A1
SCHEMBL30885433 0.84 STING1 (0.53) STING1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL30885423 0.82 STING1 (0.51) STING1MAPT
SCHEMBL30885386 0.82 STING1 (0.58) STING1MAPTTRPV1KDM4EALDH1A1
SCHEMBL30885377 0.81 STING1 (0.49) STING1MAPT
SCHEMBL30386673 0.80 STING1 (0.72) STING1MAPTRAB9ATRPV1
SCHEMBL28991332 0.80 STING1 (0.72) STING1MAPTRAB9ATRPV1
SCHEMBL30885399 0.79 STING1 (0.52) STING1MAPTKDM4EALDH1A1
SCHEMBL30885374 0.78 STING1 (0.48) STING1MAPTSMN1; SMN2TRPV1
SCHEMBL30885458 0.78 STING1 (0.53) STING1MAPTNPC1LMNARAB9A

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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