SCHEMBL16563570

SCHEMBL16563570

Cn1nc2c(c1NC(=O)c1cc(-c3c(F)cccc3Cl)[nH]n1)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ LMNA P02545 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ ALPI P09923 1/20 0.35

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
SCHEMBL16563837 0.80 ALDH1A1 (0.39) HTTKDM4EHSD17B10KMT2AMEN1
SCHEMBL16563942 0.79 KDM4E (0.40) HTTKDM4EKMT2AMEN1NPC1
SCHEMBL16564132 0.78 KMT2A (0.44) HTTKDM4EKMT2AMEN1NPC1
SCHEMBL16564136 0.76 ALOX15 (0.43) LMNATSHRMAPTALOX15
SCHEMBL16563648 0.75 MAPT (0.52) ENPP2POLBMAPTNPSR1RAB9A
SCHEMBL16563773 0.73 MAPT (0.43) ENPP2MAPTRAB9ANTRK1
SCHEMBL16563611 0.72 POLB (0.42) KDM4EGAAKMT2ANPC1LMNA
SCHEMBL16564046 0.72 P2RX7 (0.47) KMT2AMEN1NPC1LMNAATM
SCHEMBL16563847 0.71 MEN1 (0.47) KMT2AMEN1NPC1POLBMAPT
SCHEMBL16563497 0.71 PTGES (0.39) HTTGAAKMT2AMEN1NPC1

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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