SCHEMBL9873291

SCHEMBL9873291

O=C(c1ccccc1)c1cnc2cnccc2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 5/20 0.41
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHUK O15111 1/20 0.39
CCNE2 O96020 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
IMPDH2 P12268 1/20 0.38
AKR1C3 P42330 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
SCHEMBL9875062 0.84 KMT2A (0.46) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL9868650 0.83 KDM4C (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9874612 0.80 MEN1 (0.62) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL9872577 0.76 MEN1 (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9874886 0.75 KMT2A (0.46) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL9873674 0.75 KMT2A (0.42) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL8693095 0.73 KMT2A (0.55) KMT2AMEN1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5700207 0.73 KMT2A (0.55) KMT2AMEN1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL10998986 0.72 KMT2A (0.54) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL9873549 0.71 CCNE2 (0.41) KMT2AMEN1ALDH1A1HTTNPSR1

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