SCHEMBL16563605

SCHEMBL16563605

O=C(Nc1ccccc1C(=O)O)c1cc(-c2c(F)cccc2Cl)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ PKM P14618 1/20 0.45
▸ FABP3 P05413 4/20 0.44
▸ FABP4 P15090 4/20 0.44
▸ FABP5 Q01469 3/20 0.44
▸ ALOX15 P16050 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ CDC25B P30305 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL16563847 0.82 MEN1 (0.47) MEN1KMT2ANPC1RAB9A
SCHEMBL16563767 0.80 ALOX15 (0.44) ALOX15RAB9A
SCHEMBL16564046 0.78 P2RX7 (0.47) MEN1KMT2AALOX15ALDH1A1NPC1
SCHEMBL16563497 0.77 PTGES (0.39) MEN1KMT2AALOX15ALDH1A1NPC1
SCHEMBL16563900 0.76 MAPT (0.50) MEN1KMT2AHPGDLMNATP53
SCHEMBL16563648 0.76 MAPT (0.52) RAB9ANPSR1
SCHEMBL16563623 0.76 ALOX15 (0.42) MEN1KMT2AALOX15ALDH1A1NPC1
SCHEMBL16563581 0.75 POLB (0.52) ALOX15HPGDHTTLMNA
SCHEMBL16564040 0.75 ORAI1 (0.52) MEN1KMT2AALOX15NPC1RAB9A
SCHEMBL16564132 0.74 KMT2A (0.44) MEN1KMT2AALOX15ALDH1A1NPC1

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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