SCHEMBL16563939

SCHEMBL16563939

COc1ccc(OC)c(-c2cc(C(=O)Nc3ccncc3F)n[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 2/20 0.53
▸ STIM1 Q13586 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ABCB1 P08183 2/20 0.42
▸ MAPT P10636 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL15862550 0.82 ALDH1A1 (0.49) ORAI1STIM1ALDH1A1KDM4EMEN1
SCHEMBL16563988 0.80 ORAI1 (0.66) ORAI1STIM1ALDH1A1KDM4EMEN1
SCHEMBL15862312 0.80 ORAI1 (0.52) ORAI1STIM1ALDH1A1KDM4EMEN1
SCHEMBL15873639 0.76 ROCK2 (0.42) ORAI1STIM1RAB9AABCB1MAPT
SCHEMBL15862687 0.76 ORAI1 (0.50) ORAI1STIM1ALDH1A1KDM4EMEN1
SCHEMBL1528634 0.75 MAPT (0.50) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL15862322 0.74 ORAI1 (0.51) ORAI1STIM1ALDH1A1KDM4EMEN1
SCHEMBL15862637 0.74 ORAI1 (0.50) ORAI1STIM1ALDH1A1KDM4EMEN1
SCHEMBL16563795 0.73 FLT3 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL16563900 0.72 MAPT (0.50) KDM4EMEN1KMT2AMAPK1HPGD

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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