SCHEMBL11060121

SCHEMBL11060121

CC(=O)OCCc1c(-c2ccccc2)nc(N)n2ncnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL11064822 0.89 MAPT (0.41) KDM4ERECQLCSNK1DADORA2AALDH1A1
SCHEMBL11071024 0.86 FAAH (0.36) KDM4ECSNK1DHSD17B10HPGDMAPT
SCHEMBL11065514 0.84 PKM (0.41) KDM4ERECQLADORA2APOLBALDH1A1
Bemitradine SCHEMBL121173 0.83 KDM4E (0.36) KDM4ECSNK1DADORA2AALDH1A1HSD17B10
SCHEMBL11068188 0.81 ALDH1A1 (0.40) KDM4ERECQLALDH1A1HPGDMEN1
SCHEMBL9378832 0.81 ALDH1A1 (0.36) KDM4EADORA2AALDH1A1HSD17B10HPGD
SCHEMBL9381563 0.78 ADORA2A (0.35) KDM4EADORA2AALDH1A1SMN1; SMN2MAPT
SCHEMBL11017984 0.77 RAD52 (0.34) RAD52KDM4ERECQLPOLBALDH1A1
SCHEMBL11061056 0.77 MAPT (0.40) KDM4ERECQLADORA2APOLBALDH1A1
SCHEMBL11070935 0.76 ADORA2A (0.35) KDM4EADORA2AALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129247-A1 8-Substituted 7-phenyl-1,2,4-triazolo [2,3-c] pyrimidines-5-amines and amides G.D. Searle & Co. (US) 1984-12-27 — — EP claimed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US claimed
EP-0129247-A1 8-Substituted 7-phenyl-1,2,4-triazolo [2,3-c] pyrimidines-5-amines and amides G.D. Searle & Co. (US) 1984-12-27 — — EP disclosed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US disclosed
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