SCHEMBL11671900

SCHEMBL11671900

CCCCCCCCCCCCNc1cc(NCCCCCCCCCCCC)c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 6/20 0.47
▸ APAF1 O14727 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ P2RY2 P41231 2/20 0.43
▸ BRCA1 P38398 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ GNG2 P59768 2/20 0.41
▸ GNB1 P62873 2/20 0.41
▸ TOP2B Q02880 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL10396305 0.88 P2RY4 (0.49) P2RY4APAF1ALDH1A1POLBTP53
SCHEMBL7944858 0.87 P2RY4 (0.46) P2RY4APAF1ALDH1A1POLBMAPT
SCHEMBL27697547 0.86 GNG2 (0.57) P2RY4ALDH1A1P2RY2HIF1AGNG2
SCHEMBL1764681 0.85 GNG2 (0.60) P2RY4ALDH1A1P2RY2HIF1AGNG2
SCHEMBL7855739 0.84 MEN1 (0.56) APAF1ALDH1A1POLBTP53MAPT
SCHEMBL1908099 0.84 MEN1 (0.56) APAF1ALDH1A1POLBTP53MAPT
SCHEMBL11865193 0.84 MEN1 (0.56) APAF1ALDH1A1POLBTP53MAPT
SCHEMBL7845898 0.84 MEN1 (0.56) APAF1ALDH1A1POLBTP53MAPT
SCHEMBL11119733 0.84 MEN1 (0.56) APAF1ALDH1A1POLBTP53MAPT
SCHEMBL15293050 0.84 P2RY4 (0.50) P2RY4APAF1ALDH1A1POLBTP53

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-4051052-A Liquid developer MITA INDUSTRIAL COMPANY LTD. (JA) 1977-09-27 — — US disclosed
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