SCHEMBL16563791

SCHEMBL16563791

COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(-c2c(F)cccc2Cl)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ATM Q13315 1/20 0.42

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
SCHEMBL16563900 0.85 MAPT (0.50) POLBMEN1KMT2AMAPTLMNA
SCHEMBL16563778 0.84 KMT2A (0.43) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL16563947 0.82 HDAC8 (0.47) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL16563915 0.82 CYP1A2 (0.54) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL16563581 0.78 POLB (0.52) POLBMAPTLMNAATM
SCHEMBL16563623 0.75 ALOX15 (0.42) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL16564040 0.74 ORAI1 (0.52) POLBMEN1KMT2ALMNAATM
SCHEMBL16563605 0.72 MEN1 (0.45) ALDH1A1MEN1KMT2ALMNACYP2C9
SCHEMBL16563767 0.72 ALOX15 (0.44) —
SCHEMBL16564046 0.70 P2RX7 (0.47) POLBALDH1A1MEN1KMT2ALMNA

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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