SCHEMBL7823263

SCHEMBL7823263

NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nc(Cl)cs4)c3n2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
TOP1 P11387 3/20 0.41
TOP2A P11388 14/20 0.40
TOP2B Q02880 10/20 0.40

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
Hydrochloric Acid SCHEMBL7837985 0.89 KMT2A (0.51) KMT2AALDH1A1POLBCHRM2CHRM1
SCHEMBL7823387 0.87 KMT2A (0.48) KMT2ATOP1TOP2ATOP2B
SCHEMBL13282783 0.85 KMT2A (0.49) KMT2ATOP1TOP2ATOP2B
SCHEMBL19881448 0.85 KMT2A (0.49) KMT2ATOP1TOP2ATOP2B
Hydrochloric Acid SCHEMBL7835276 0.84 KMT2A (0.48) KMT2ATOP1TOP2ATOP2B
SCHEMBL8666279 0.83 KMT2A (0.49) KMT2AALDH1A1POLBCHRM2CHRM1
SCHEMBL8667420 0.83 KMT2A (0.50) KMT2ATOP1TOP2ATOP2B
SCHEMBL7823113 0.82 KMT2A (0.52) KMT2AALDH1A1POLBCHRM2CHRM1
SCHEMBL2617022 0.78 CHRM2 (0.53) KMT2AALDH1A1POLBCHRM2CHRM1
SCHEMBL27368444 0.78 MEN1 (0.33) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787726-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
CN-1053668-C Novel compound, process for producing the same, and antitumor agent DAINIPPON PHARMACEUTICAL CO (JP) 2000-06-21 CN disclosed
US-5817669-A A COMPOUND CONTAINING 1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
CN-1158614-A Novel compound, process for producing the same, and antitumor agent DAINIPPON PHARMACEUTICAL CO (JP) 1997-09-03 CN disclosed
EP-0787726-A1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-08-06 EP disclosed