SCHEMBL9050867

SCHEMBL9050867

Nc1nc(O)c2cc(CCCc3ccc(C(=O)O)cc3)cnc2n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.41
GART P22102 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38

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
SCHEMBL9052458 0.95 GART (0.44) RARBGARTNPC1RAB9ASMN1; SMN2
SCHEMBL9051507 0.88 CYP4A11 (0.46) SMN1; SMN2
SCHEMBL9050614 0.82 TP53 (0.44) GART
SCHEMBL9263780 0.81 GART (0.67) GART
SCHEMBL9049069 0.79 ADORA1 (0.39) RARBGARTNPC1NFKB1RAB9A
SCHEMBL9535793 0.78 ALDH1A1 (0.40) RARBNPC1RAB9ASMN1; SMN2
SCHEMBL9535789 0.78 ALDH1A1 (0.40) RARBNPC1RAB9ASMN1; SMN2
SCHEMBL9535831 0.77 GART (0.72) GART
SCHEMBL9446029 0.76 DHFR (0.53) GART
SCHEMBL9446027 0.76 DHFR (0.53) GART

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314280-B1 Process for the preparation of fused pyridine compounds UNIV PRINCETON (US) 1996-02-21 EP disclosed
US-5473071-A Process for the preparation of fused pyridine compounds TRUSTEES OF PRINCETON UNIVERSITY (US) 1995-12-05 US disclosed
EP-0340905-B1 Fused pyrimidines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-08 EP disclosed
US-5223620-A For antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-29 US disclosed
US-4946846-A ANTITUMOR AGENTS; NONTOXIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 US disclosed
US-4895946-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-01-23 US disclosed
EP-0314280-A2 Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-03 EP disclosed