SCHEMBL16563435

SCHEMBL16563435

COc1ccc(OC)c(C(=O)Nc2cc(-c3c(F)cccc3Cl)[nH]n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ FOXO1 Q12778 5/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TOP1 P11387 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KCNK3 O14649 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL16563900 0.82 MAPT (0.50) MAPTHPGDSMN1; SMN2TOP1EGFR
SCHEMBL16563988 0.74 ORAI1 (0.66) NPC1RAB9AFOXO1MAPTHPGD
SCHEMBL16563915 0.72 CYP1A2 (0.54) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL16563947 0.72 HDAC8 (0.47) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL3424887 0.71 NPC1 (0.52) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL16563558 0.70 ROCK1 (0.47) NPC1RAB9AFOXO1MAPTKMT2A
SCHEMBL16563778 0.70 KMT2A (0.43) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL16563791 0.69 POLB (0.53) MAPTLMNAKMT2AMEN1PKM
SCHEMBL15862550 0.69 ALDH1A1 (0.49) MAPTHPGDSMN1; SMN2LMNAKMT2A
SCHEMBL22488756 0.68 FOXO1 (0.64) NPC1RAB9AFOXO1SMN1; SMN2KMT2A

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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