SCHEMBL27627478

SCHEMBL27627478

Cc1cccc(-c2cnc(C=O)[nH]2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.46
▸ CCR8 P51685 1/20 0.46
▸ CYP2A6 P11509 1/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ DGAT1 O75907 1/20 0.39
▸ TGFBR1 P36897 13/20 0.36
▸ MAPK14 Q16539 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ BRS3 P32247 1/20 0.33
▸ SIK2 Q9H0K1 1/20 0.32

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
SCHEMBL30855633 0.76 CCR1 (0.50) CCR1CCR8CYP2A6METAP2DGAT1
SCHEMBL24542668 0.74 DGAT1 (0.36) CCR1CCR8CYP2A6METAP2DGAT1
SCHEMBL30241144 0.73 CCR1 (0.47) CCR1CCR8CYP2A6METAP2DGAT1
SCHEMBL14576669 0.71 TGFBR1 (0.47) CCR1CCR8CYP2A6METAP2DGAT1
SCHEMBL27628728 0.70 SMPD3 (0.42) CYP2A6
SCHEMBL3745071 0.70 CCR1 (0.62) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL1456972 0.70 CCR1 (0.62) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL27992258 0.69 SCN2A (0.55) —
SCHEMBL16715991 0.69 CCR1 (0.67) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL5020175 0.68 CCR1 (0.54) CCR1CCR8CYP2A6METAP2TGFBR1

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-1681805-A Novel imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER PROD INC (US) 2005-10-12 — — CN disclosed
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