SCHEMBL29893246

SCHEMBL29893246

OC1CCCc2ccc(-c3ccc(C(F)(F)F)cc3)nc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
TRPV3 Q8NET8 12/20 0.43
CHRNA7 P36544 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL2305775 0.85 KDM1A (0.46) CYP11B1CYP11B2MEN1KMT2AKDM1A
SCHEMBL29893953 0.84 IRAK4 (0.44) CYP11B1CYP11B2TRPV3CHRNA7KDM1A
SCHEMBL29893637 0.84 CYP11B1 (0.39) CYP11B1CYP11B2TRPV3CHRNA7HDAC8
SCHEMBL14884989 0.81 ACHE (0.43) MEN1KMT2A
SCHEMBL10287024 0.81 ACHE (0.43) MEN1KMT2A
SCHEMBL3311055 0.81 ACHE (0.43) MEN1KMT2A
SCHEMBL29893831 0.78 CYP11B1 (0.35) CYP11B1CYP11B2TRPV3CHRNA7HDAC8
SCHEMBL10286368 0.77 RAB9A (0.40) MEN1KMT2AMAOB
SCHEMBL31598496 0.77 RAB9A (0.40) MEN1KMT2AMAOB
SCHEMBL10287034 0.77 CYP11B1 (0.38) CYP11B1CYP11B2HDAC8

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-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed