SCHEMBL9873674

SCHEMBL9873674

O=C(c1ccccc1)c1cnc2cccnc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
GRM4 Q14833 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 2/20 0.39
DHODH Q02127 2/20 0.39
AKR1C3 P42330 1/20 0.39
COMT P21964 1/20 0.38
KDR P35968 1/20 0.38
METAP2 P50579 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
SCHEMBL9872674 0.84 ALDH1A1 (0.45) KMT2AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL9873291 0.75 KMT2A (0.45) KMT2AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL9875232 0.75 GRM4 (0.39) KMT2AGRM4SMN1; SMN2MEN1CYP1A2
SCHEMBL9874916 0.75 SMN1; SMN2 (0.42) KMT2AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL9874891 0.74 HTT (0.54) KMT2AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL9545028 0.73 KMT2A (0.54) KMT2AALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL11807194 0.73 PARP1 (0.62) KMT2AALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL29761118 0.73 PARP1 (0.62) KMT2AALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL3709112 0.73 SMN1; SMN2 (0.67) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL9874612 0.72 MEN1 (0.62) KMT2AALDH1A1HTTNPSR1SMN1; SMN2

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