SCHEMBL7985680

SCHEMBL7985680

O=c1[nH]c(Cc2cccnc2)nc2ncn(Cc3ccccc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 1/20 0.51
CNOT7 Q9UIV1 2/20 0.47
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
TPH1 P17752 1/20 0.42
TPH2 Q8IWU9 1/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL7985859 0.83 CNOT7 (0.49) SMN1; SMN2ALDH1A1KMT2AHPGDCNOT7
SCHEMBL7974283 0.82 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KMT2AHPGDCNOT7
SCHEMBL7985687 0.82 CNOT7 (0.55) SMN1; SMN2ALDH1A1KMT2AHPGDCNOT7
SCHEMBL7985469 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KMT2AHPGDCNOT7
SCHEMBL7975251 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KMT2AHPGDCNOT7
SCHEMBL7988094 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KMT2AHPGDCNOT7
SCHEMBL7984363 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KMT2AHPGDCNOT7
SCHEMBL7974513 0.81 ADORA3 (0.53) SMN1; SMN2ALDH1A1KMT2AHPGDKDM4E
Hydrochloric Acid SCHEMBL7987463 0.80 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KMT2AHPGDCNOT7
Hydrochloric Acid SCHEMBL7992062 0.80 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KMT2AHPGDCNOT7

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed