SCHEMBL30989624

SCHEMBL30989624

CCS(=O)(=O)c1cc(Br)cnc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ AHR P35869 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ SLC47A1 Q96FL8 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL25315137 1.00 UTRN (0.43) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL23136589 0.90 UTRN (0.41) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL15847456 0.88 UTRN (0.43) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL29431588 0.88 UTRN (0.43) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL23137420 0.88 UTRN (0.40) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL21525988 0.85 UTRN (0.41) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL25276995 0.85 UTRN (0.40) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL21589893 0.85 UTRN (0.40) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL29766681 0.85 UTRN (0.40) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL30989668 0.84 UTRN (0.37) UTRNCYP1A2AHRHDAC6NPC1

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-118355004-A Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives 勃林格殷格翰动物保健有限公司 2024-07-16 — — CN disclosed
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