SCHEMBL7988934

SCHEMBL7988934

Cc1cccc(Cn2cnc3nc(-c4cccnc4)nc(O)c32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ CYP2D6 P10635 4/20 0.47
▸ CYP2C19 P33261 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ CYP11B1 P15538 2/20 0.41

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
SCHEMBL7984769 0.89 CLK4 (0.44) ALDH1A1HSD17B10SMN1; SMN2MAPTKMT2A
SCHEMBL7988747 0.89 CYP11B1 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7974268 0.88 CYP11B1 (0.48) ALDH1A1TSHRHPGDSMN1; SMN2MAPT
SCHEMBL7988659 0.88 P2RX7 (0.41) CYP3A4CYP2D6CYP2C19SMN1; SMN2MAPT
SCHEMBL7985334 0.88 ABCG2 (0.46) ALDH1A1KDM4ECYP11B1CYP11B2GRIN1
SCHEMBL7987433 0.87 ROCK2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7974286 0.87 DHPS (0.49) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7974247 0.86 CYP11B1 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7991557 0.85 LMNA (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL7975240 0.84 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR

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
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