SCHEMBL28976439

SCHEMBL28976439

Cc1nn(C(F)F)c(C(N)=O)c1C1CCC(F)(F)CC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.31
▸ PARP2 Q9UGN5 2/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ TEAD1 P28347 1/20 0.30
▸ TEAD4 Q15561 1/20 0.30
▸ TEAD2 Q15562 1/20 0.30

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
SCHEMBL28974193 0.91 RET (0.33) PARP1PARP2KDM1AMAOBOPRM1
SCHEMBL28974169 0.83 KDM1A (0.36) PARP1PARP2KDM1AMAOBOPRM1
SCHEMBL30281182 0.80 TEAD1 (0.34) PARP1PARP2OPRM1TEAD1TEAD4
SCHEMBL28976913 0.80 PARP1 (0.31) PARP1PARP2OPRM1TEAD1TEAD4
SCHEMBL28976914 0.72 KDM1A (0.31) PARP1PARP2KDM1AMAOB
SCHEMBL28976940 0.70 PARP1 (0.32) PARP1PARP2
SCHEMBL28976717 0.70 ALPL (0.31) KDM1AMAOB
SCHEMBL28976466 0.70 PARP1 (0.33) PARP1PARP2KDM1AMAOBOPRM1
SCHEMBL4177951 0.68 KDM4E (0.39) —
SCHEMBL28976927 0.68 PARP1 (0.33) PARP1PARP2KDM1AMAOBOPRM1

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-115884810-A Imidazopyridazines as IL-17 modulators 詹森药业有限公司 2023-03-31 — — CN disclosed
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