SCHEMBL24499403

SCHEMBL24499403

Cc1cc(F)c(-c2cc(F)c(C(=O)O)c(F)c2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TPMT P51580 1/20 0.39
CNR2 P34972 1/20 0.39
NOTUM Q6P988 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TTR P02766 1/20 0.35
RARA P10276 1/20 0.35

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
SCHEMBL290102 0.88 TPMT (0.48) MEN1KMT2ACRHBPCRHR2TPMT
SCHEMBL21567703 0.81 MCL1 (0.49) DHODHMEN1KMT2ASMN1; SMN2RXRA
SCHEMBL28888036 0.79 AKR1C2 (0.45) NOTUMSMN1; SMN2KDM4ETTRRARA
SCHEMBL19585743 0.78 KDM4E (0.48) DHODHMEN1KMT2ACRHBPCRHR2
SCHEMBL17831135 0.78 KDM4E (0.48) MEN1KMT2ACRHBPCRHR2TPMT
SCHEMBL17177745 0.77 AKR1C2 (0.44) NOTUMSMN1; SMN2KDM4ETTRRARA
SCHEMBL7737301 0.77 NOTUM (0.37) DHODHMEN1KMT2ACRHBPCRHR2
SCHEMBL15462913 0.76 CYP3A4 (0.48) MEN1KMT2ACRHBPCRHR2TPMT
SCHEMBL24492690 0.75 RARB (0.48) DHODHMEN1KMT2AKDM4ERARA
SCHEMBL10018717 0.74 HDAC1 (0.39) DHODH

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-2022117551-A1 LIQUID CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL DEVICE MERCK PATENT GMBH (DE) 2022-06-09 WO disclosed