SCHEMBL16563623

SCHEMBL16563623

COc1ccc(NC(=O)c2cc(-c3c(F)cccc3Cl)[nH]n2)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.42
▸ ORAI1 Q96D31 2/20 0.42
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 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
SCHEMBL16564040 0.84 ORAI1 (0.52) ALOX15ORAI1MAPK1POLBKMT2A
SCHEMBL16563900 0.80 MAPT (0.50) MAPTMAPK1POLBKMT2AKDM4E
SCHEMBL16563915 0.77 CYP1A2 (0.54) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL16563947 0.77 HDAC8 (0.47) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL16563778 0.76 KMT2A (0.43) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL16563767 0.76 ALOX15 (0.44) ALOX15RAB9A
SCHEMBL16563605 0.76 MEN1 (0.45) ALOX15KMT2AALDH1A1MEN1HPGD
SCHEMBL16563791 0.75 POLB (0.53) MAPTPOLBKMT2AALDH1A1KDM4E
SCHEMBL16563581 0.74 POLB (0.52) ALOX15MAPTMAPK1POLBHPGD
SCHEMBL16563611 0.74 POLB (0.42) POLBKMT2AALDH1A1KDM4ESMN1; 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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