SCHEMBL16563778

SCHEMBL16563778

COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(-c2c(F)cccc2Cl)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ HDAC8 Q9BY41 5/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16563947 0.89 HDAC8 (0.47) KMT2AMEN1HDAC8HDAC1HDAC6
SCHEMBL16563915 0.89 CYP1A2 (0.54) KMT2AMEN1HDAC8HDAC1HDAC6
SCHEMBL16563900 0.86 MAPT (0.50) KMT2AMEN1POLBKDM4ESMN1; SMN2
SCHEMBL16563791 0.84 POLB (0.53) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL16563623 0.76 ALOX15 (0.42) KMT2AMEN1CYP1A2POLBKDM4E
SCHEMBL16564040 0.75 ORAI1 (0.52) KMT2AMEN1POLBSMN1; SMN2
SCHEMBL16563767 0.73 ALOX15 (0.44) —
SCHEMBL16563605 0.73 MEN1 (0.45) KMT2AMEN1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL16564046 0.71 P2RX7 (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL16563435 0.70 NPC1 (0.48) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848615-A1 New pyrazole derivatives as CRAC channel modulators Almirall, S.A. (ES) 2015-03-18 — — EP claimed
EP-2848615-A1 New pyrazole derivatives as CRAC channel modulators Almirall, S.A. (ES) 2015-03-18 — — EP disclosed
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