SCHEMBL24313813

SCHEMBL24313813

CC(C)(C)c1ccc(OCc2ccccc2)c(S(=O)(=O)NC(=O)c2cc3c(F)cc(C4CC4)cc3o2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
FABP4 P15090 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MRGPRX4 Q96LA9 4/20 0.35
MMP2 P08253 1/20 0.35
P2RX4 Q99571 1/20 0.34
CCR8 P51685 1/20 0.34
CNR2 P34972 1/20 0.34
KDM1A O60341 2/20 0.34
MAOB P27338 1/20 0.34
IDH2 P48735 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL29588383 1.00 LMNA (0.38) LMNATRPV1FABP4RXRARXRB
SCHEMBL29588250 0.89 SCN9A (0.38) P2RX4
SCHEMBL29587334 0.89 KCNH2 (0.39) LMNACNR2
SCHEMBL24314323 0.89 SCN9A (0.38) P2RX4
SCHEMBL29588713 0.88 MMP2 (0.38) TRPV1FABP4MRGPRX4MMP2P2RX4
SCHEMBL24314311 0.88 MMP2 (0.38) TRPV1FABP4MRGPRX4MMP2P2RX4
SCHEMBL24314184 0.88 ALDH1A1 (0.43) LMNA
SCHEMBL29587808 0.88 ALDH1A1 (0.43) LMNA
SCHEMBL24313699 0.86 SCN9A (0.35) LMNATRPV1FABP4
SCHEMBL29587622 0.86 SCN9A (0.35) LMNATRPV1FABP4

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
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed