SCHEMBL5317360

SCHEMBL5317360

COC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(N)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGER1 P34995 1/20 0.38
PPARG P37231 1/20 0.38
PKM P14618 2/20 0.37
POLB P06746 1/20 0.37
TRPA1 O75762 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1049314 0.92 MEN1 (0.43) PTGDR2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5319201 0.90 CYP1A2 (0.43) PTGDR2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL5319424 0.90 TP53 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1049540 0.88 PTGDR2 (0.42) PTGDR2MEN1KMT2AKDM4ECYP1A2
SCHEMBL1046780 0.87 PPARG (0.44) PTGDR2MEN1KMT2AKDM4ECYP1A2
SCHEMBL1050802 0.87 PTGER1 (0.46) PTGDR2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5318767 0.87 PPARG (0.41) PTGDR2KDM4ECYP1A2CYP3A4CYP2C8
SCHEMBL1050090 0.86 PTGDR2 (0.41) PTGDR2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1050165 0.86 SLC22A12 (0.44) PTGDR2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1048230 0.86 PTGDR2 (0.39) PTGDR2MEN1KMT2ACYP1A2CYP3A4

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-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP claimed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO claimed