SCHEMBL16563837

SCHEMBL16563837

Cn1nc2ccccc2c1NC(=O)c1cc(-c2c(F)cccc2Cl)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ PTGER4 P35408 2/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ LMNA P02545 4/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ ALPG P10696 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
SCHEMBL16563942 0.83 KDM4E (0.40) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL16563648 0.81 MAPT (0.52) NPSR1MAPTRAB9A
SCHEMBL16563570 0.80 HTT (0.40) KDM4ENPSR1KMT2AMEN1MAPT
SCHEMBL16564132 0.80 KMT2A (0.44) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL16564136 0.78 ALOX15 (0.43) MAPTALOX15LMNATSHRROCK1
SCHEMBL16563773 0.77 MAPT (0.43) MAPTRAB9A
SCHEMBL16563611 0.76 POLB (0.42) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL16564046 0.74 P2RX7 (0.47) ALDH1A1KMT2AMEN1ALOX15NPC1
SCHEMBL16563605 0.74 MEN1 (0.45) ALDH1A1NPSR1KMT2AMEN1HTT
SCHEMBL16563847 0.73 MEN1 (0.47) KMT2AMEN1MAPTNPC1RAB9A

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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