SCHEMBL9874916

SCHEMBL9874916

CN(C(=O)N(C)c1c(C(=O)c2ccccc2)cnc2cccnc12)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 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
SCHEMBL9381137 0.81 GABRP (0.39) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL9874472 0.81 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AHPGDCYP1A2
SCHEMBL9874920 0.79 TDP1 (0.47) MEN1KMT2ALMNAHPGDCYP1A2
SCHEMBL9873674 0.75 KMT2A (0.42) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL9872674 0.71 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL9387220 0.69 GABRP (0.43) SMN1; SMN2MEN1KMT2ALMNAHSD17B10
SCHEMBL9875417 0.68 MEN1 (0.50) SMN1; SMN2MEN1KMT2ALMNAGABRP
SCHEMBL9381144 0.68 HTT (0.40) MEN1KMT2AHSD17B10L3MBTL1GPBAR1
SCHEMBL12550518 0.67 POLB (0.50) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL2143821 0.65 EGLN1 (0.57) SMN1; SMN2MEN1KMT2ALMNAHPGD

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
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed