SCHEMBL11071024

SCHEMBL11071024

Nc1nc(-c2ccccc2)c(CCOC(=O)CCC(=O)O)c2ncnn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.36
▸ TSHR P16473 2/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ EGLN1 Q9GZT9 2/20 0.34
▸ DHFR P00374 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CSNK1D P48730 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ABCC4 O15439 1/20 0.33
▸ C5 P01031 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RXRA P19793 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
SCHEMBL11068433 0.87 TDP1 (0.43) FAAHTDP1DHFRL3MBTL1CYP3A4
SCHEMBL11060121 0.86 RAD52 (0.39) TSHRPTGS2HSD17B10MAPTCSNK1D
SCHEMBL11064822 0.84 MAPT (0.41) TSHRHSD17B10MAPTCSNK1DKDM4E
SCHEMBL11068188 0.79 ALDH1A1 (0.40) KDM4ELMNACYP3A4HPGDCYP2C19
SCHEMBL9378832 0.78 ALDH1A1 (0.36) HSD17B10EGLN1MAPTKDM4ELMNA
Bemitradine SCHEMBL121173 0.78 KDM4E (0.36) TSHRTDP1HSD17B10L3MBTL1MAPT
SCHEMBL9381563 0.76 ADORA2A (0.35) MAPTKDM4ELMNAMAPK1
SCHEMBL11069949 0.73 KMT2A (0.37) FAAHTSHRTDP1HSD17B10L3MBTL1
SCHEMBL11067372 0.73 TDP1 (0.41) FAAHTDP1MAPTCYP2C19EPHX2
SCHEMBL11070935 0.71 ADORA2A (0.35) TDP1L3MBTL1MAPTKDM4EMAPK1

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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