SCHEMBL9875232

SCHEMBL9875232

O=C(c1ccccc1)c1c[n+]([O-])c2cccnc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPK14 Q16539 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CATSPER1 Q8NEC5 1/20 0.37
DHODH Q02127 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
COMT P21964 1/20 0.35
AKR1C3 P42330 1/20 0.35
MEN1 O00255 1/20 0.35
KDR P35968 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL9873674 0.75 KMT2A (0.42) GRM4KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL30380075 0.70 KDM4E (0.44) KMT2ACYP2C9DHODHLMNASMN1; SMN2
SCHEMBL3709112 0.69 SMN1; SMN2 (0.67) KMT2ACYP1A2CYP2C9CYP2C19DHODH
SCHEMBL187899 0.67 ALDH1A1 (0.55) KMT2ADHODHLMNASMN1; SMN2AKR1C3
SCHEMBL11807194 0.66 PARP1 (0.62) KMT2ADHODHLMNASMN1; SMN2COMT
SCHEMBL29761118 0.66 PARP1 (0.62) KMT2ADHODHLMNASMN1; SMN2COMT
SCHEMBL27266845 0.66 P2RX7 (0.54) KMT2ADHODHCOMTAKR1C3MEN1
SCHEMBL30592534 0.66 P2RX7 (0.54) KMT2ADHODHCOMTAKR1C3MEN1
SCHEMBL296670 0.66 KDM4E (0.69) KMT2ACYP1A2DHODHLMNASMN1; SMN2
SCHEMBL8581405 0.66 GLA (0.53) KMT2ADHODHLMNASMN1; SMN2MEN1

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