SCHEMBL24675540

SCHEMBL24675540

N#CB1CCN2c3ncc(C(F)(F)F)cc3NC(=O)CC2C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCAT P04180 3/20 0.34
SCN10A Q9Y5Y9 9/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CBLB Q13191 1/20 0.32
TIPARP Q7Z3E1 1/20 0.32

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
SCHEMBL24675551 0.84 KMT2A (0.42) LCATSCN10AMEN1KMT2AKDM4E
SCHEMBL24674980 0.77 HTR2C (0.50)
SCHEMBL24675259 0.76 HTR2A (0.34) SCN10AALDH1A1
SCHEMBL24675530 0.75 TIPARP (0.41) SCN10ATIPARP
SCHEMBL24675011 0.73 TIPARP (0.38) SCN10ATIPARP
SCHEMBL24640017 0.73 TIPARP (0.38) CBLBTIPARP
SCHEMBL29841830 0.73 TIPARP (0.41) MEN1KMT2AALDH1A1MAPTCBLB
SCHEMBL24640800 0.73 TIPARP (0.38) CBLBTIPARP
SCHEMBL24640054 0.73 TIPARP (0.38) CBLBTIPARP
SCHEMBL29088859 0.73 TIPARP (0.41) MEN1KMT2AALDH1A1MAPTCBLB

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-2022223022-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-10-27 WO disclosed