SCHEMBL8864413

SCHEMBL8864413

CC(c1cccc2nc(N)[nH]c12)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.35
▸ PIK3CA P42336 4/20 0.35
▸ PIK3CB P42338 4/20 0.35
▸ PIK3CD O00329 3/20 0.35
▸ PIK3R1 P27986 2/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ NCF1 P14598 1/20 0.33

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
SCHEMBL13524890 0.76 MASP2 (0.44) MEN1KMT2AALDH1A1HPGDMASP2
SCHEMBL17329324 0.73 KMT2A (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7745378 0.71 DPP4 (0.46) POLBKMT2ADPP4ALDH1A1KCNA5
SCHEMBL18108809 0.68 ALDH1A1 (0.41) POLBKMT2AALDH1A1KDM4EKCNA5
SCHEMBL8564912 0.68 PARP1 (0.39) MEN1KMT2AALDH1A1MASP2NUDT1
SCHEMBL11361681 0.68 SLC6A2 (0.39) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL12248160 0.67 KCNA5 (0.46) DPP4ALDH1A1KDM4EKCNA5LTA4H
SCHEMBL5323911 0.66 P4HB (0.45) DPP4ALDH1A1HPGDGAAKCNA5
SCHEMBL1203109 0.66 CYP2D6 (0.46) PIK3CDALDH1A1GAAKCNA5LTA4H
SCHEMBL29336310 0.66 ATR (0.39) ALDH1A1KCNA5

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-5639756-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1997-06-17 — — US disclosed
US-5623073-A ANTIDIABETIC AGENT ADIR ET COMPAGNIE (FR) 1997-04-22 — — US disclosed
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