SCHEMBL30002818

SCHEMBL30002818

COc1cc(F)ccc1S(=O)(=O)Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.66
KDM4E B2RXH2 3/20 0.47
PKM P14618 2/20 0.47
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
ALPL P05186 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39

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
SCHEMBL1817556 1.00 TRPV4 (0.66) TRPV4KDM4EPKMTSHRSMN1; SMN2
SCHEMBL1127669 0.85 KDM4E (0.59) TRPV4KDM4ETSHRSMN1; SMN2HTT
SCHEMBL27589372 0.81 KDM4E (0.47) TRPV4KDM4EPKMTSHRSMN1; SMN2
SCHEMBL28755848 0.81 TSHR (0.52) KDM4EPKMTSHRSMN1; SMN2HTT
SCHEMBL5406327 0.81 TRPV4 (0.61) TRPV4KDM4ETSHRHTTALDH1A1
SCHEMBL74997 0.79 TRPV4 (0.68) TRPV4ALDH1A1CYP1A2CYP3A4ALPL
SCHEMBL29482639 0.79 TRPV4 (0.68) TRPV4ALDH1A1CYP1A2CYP3A4ALPL
SCHEMBL29420268 0.79 TRPV4 (1.00) TRPV4KDM4ETSHRMEN1ALDH1A1
SCHEMBL2947794 0.79 TRPV4 (1.00) TRPV4KDM4ETSHRMEN1ALDH1A1
SCHEMBL533956 0.79 TRPV4 (0.68) TRPV4KDM4EPKMTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025136811-A1 CHEMICAL COMPOUNDS AND USES THEREOF IDEAYA BIOSCIENCES, INC. (US) 2025-06-26 WO disclosed
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed