SCHEMBL5273448

SCHEMBL5273448

NNC(=O)c1nn(Cc2ccc(F)cc2Cl)c2cc(N)ccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RX7 Q99572 6/20 0.41
RORC P51449 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR1 P21554 1/20 0.39
PTGER4 P35408 1/20 0.39
GRM2 Q14416 1/20 0.38

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
SCHEMBL1050132 0.93 TP53 (0.52) TP53MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1051693 0.90 CYP1A2 (0.54) TP53MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5318767 0.89 PPARG (0.41) TP53MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1048830 0.88 MAPT (0.55) TP53MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1046113 0.88 CYP1A2 (0.56) TP53MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1083376 0.88 TP53 (0.47) TP53MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5319424 0.88 TP53 (0.47) TP53MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1046108 0.88 TP53 (0.47) TP53MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL28662562 0.87 CYP1A2 (0.60) TP53MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1050108 0.87 TP53 (0.46) TP53MAPTSMN1; SMN2CYP1A2CYP3A4

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