SCHEMBL16563795

SCHEMBL16563795

COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C(F)(F)F)nn3C)n[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.42
▸ KDM4E B2RXH2 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ HSD17B10 Q99714 6/20 0.41
▸ HPGD P15428 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ABL1 P00519 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ TSHR P16473 2/20 0.38

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
SCHEMBL16564086 0.82 ROCK1 (0.44) FLT3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL16563759 0.77 STIM1 (0.41) FLT3ALDH1A1HSD17B10POLB
SCHEMBL15862550 0.76 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL28889606 0.75 ALDH1A1 (0.53) KDM4EALDH1A1MAPTMAPK1GAA
SCHEMBL1528634 0.73 MAPT (0.50) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL16563939 0.73 ORAI1 (0.53) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL16564136 0.73 ALOX15 (0.43) FLT3MAPTRXFP1LMNATSHR
SCHEMBL28401209 0.72 SMN1; SMN2 (0.58) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL30153252 0.72 SMN1; SMN2 (0.58) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL28398322 0.71 MAPT (0.59) KDM4EMAPTMAPK1GAAMEN1

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
Send feedback