SCHEMBL27200255

SCHEMBL27200255

CNCc1cn(S(=O)(=O)c2ccc(F)cc2)c(-c2ccc(F)cc2F)c1OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH3A1 P30838 1/20 0.34

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
Abeprazan SCHEMBL18196939 0.91 HTR6 (0.39) HTR6HTR2AHTR2CMEN1MAPT
Abeprazan SCHEMBL29719476 0.91 HTR6 (0.39) HTR6HTR2AHTR2CMEN1MAPT
Abeprazan SCHEMBL29443418 0.91 HTR6 (0.39) HTR6HTR2AHTR2CMEN1MAPT
Abeprazan SCHEMBL19385615 0.90 HTR6 (0.40) HTR6HTR2AHTR2CMEN1MAPT
SCHEMBL25314470 0.89 SLC6A4 (0.37) HTR6PTGS1PTGS2POLBKMT2A
SCHEMBL30250179 0.89 SLC6A4 (0.37) HTR6PTGS1PTGS2POLBKMT2A
SCHEMBL26650833 0.89 MEN1 (0.37) KCNH2PTGS1PTGS2MEN1MAPT
SCHEMBL30250130 0.89 MEN1 (0.37) KCNH2PTGS1PTGS2MEN1MAPT
Abeprazan SCHEMBL29201776 0.88 HTR6 (0.38) HTR6CYP3A4CYP2D6HTR2AHTR2C
SCHEMBL18190937 0.88 HTR6 (0.35) HTR6HTR2AHTR2CMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356900-A1 NOVEL INJECTABLE FORMULATION COMPRISING 1-(5-(2,4-DIFLUOROPHENYL)-1-((3-FLUOROPHENYL)SULFONYL)-4-METHOXY-1H-PYRROL-3-YL)-N-METHYLMETHANAMINE Daewoong Pharmaceutical Co., Ltd. (KR) 2024-04-24 — — EP disclosed
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