SCHEMBL7985353

SCHEMBL7985353

O=c1[nH]c(C2CCCCC2)nc2ncn(Cc3ccccc3)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.52
ADORA3 P0DMS8 3/20 0.44
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PNP P00491 2/20 0.42
PARN O95453 1/20 0.42
CNOT7 Q9UIV1 1/20 0.42
BRD4 O60885 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
USP30 Q70CQ3 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL7985301 0.99 KMT2A (0.57) KMT2ASMN1; SMN2ALDH1A1HPGDADORA3
SCHEMBL7985358 0.82 CNOT7 (0.50) KMT2ASMN1; SMN2ALDH1A1HPGDADORA3
SCHEMBL7974098 0.81 KMT2A (0.55) KMT2ASMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL7985306 0.81 CNOT7 (0.51) KMT2ASMN1; SMN2ALDH1A1HPGDADORA3
SCHEMBL7974022 0.77 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2ALDH1A1HPGDADORA3
SCHEMBL1713573 0.77 PNP (0.64) KMT2ASMN1; SMN2ALDH1A1HPGDPNP
Hydrochloric Acid SCHEMBL7773119 0.76 PNP (0.63) KMT2ASMN1; SMN2ALDH1A1HPGDPNP
Hydrochloric Acid SCHEMBL5718893 0.76 PNP (0.63) KMT2ASMN1; SMN2ALDH1A1HPGDPNP
SCHEMBL7975265 0.76 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2ALDH1A1HPGDADORA3
SCHEMBL7975251 0.75 SMN1; SMN2 (0.60) KMT2ASMN1; SMN2ALDH1A1HPGDADORA3

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