SCHEMBL7987253

SCHEMBL7987253

Oc1nc(-c2cccc(F)c2)nc2ncn(Cc3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
ICMT O60725 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCG2 Q9UNQ0 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
SCHEMBL7991669 0.94 HDAC1 (0.38) HDAC1HDAC6CYP11B1CYP11B2ACP1
SCHEMBL7988734 0.93 MET (0.44) HDAC1HDAC6ALDH1A1CYP11B1CYP11B2
SCHEMBL7985791 0.93 CYP11B1 (0.40) HPGDSSMN1; SMN2ALDH1A1GAACYP11B1
SCHEMBL7987310 0.91 YTHDC1 (0.41) SMN1; SMN2HDAC1HDAC6MAPK1ACP1
SCHEMBL7974469 0.90 HDAC1 (0.40) HPGDSSMN1; SMN2HDAC1HDAC6CYP11B1
SCHEMBL7985360 0.89 POLB (0.40) SMN1; SMN2HDAC1HDAC6ACP1
SCHEMBL7988958 0.89 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1CYP11B1CYP11B2HPGD
SCHEMBL7991635 0.89 IDO1 (0.37) HDAC1HDAC6CYP11B1CYP11B2ADORA2A
SCHEMBL7984683 0.89 CNOT7 (0.37) ALDH1A1ADORA2AADORA1ADORA3
SCHEMBL7985336 0.88 PIK3CA (0.42) SMN1; SMN2HDAC1HDAC6ALDH1A1GAA

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