SCHEMBL8593619

SCHEMBL8593619

CC#Cc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.63
▸ KMT2A Q03164 6/20 0.63
▸ ALDH1A1 P00352 6/20 0.63
▸ HPGD P15428 5/20 0.63
▸ KDM4E B2RXH2 5/20 0.63
▸ NPC1 O15118 5/20 0.63
▸ MAPT P10636 4/20 0.63
▸ RAB9A P51151 4/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ TP53 P04637 3/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ GAA P10253 2/20 0.63
▸ APP P05067 1/20 0.63
▸ NFKB1 P19838 1/20 0.63
▸ SNCA P37840 1/20 0.63
▸ NFKB2 Q00653 1/20 0.63
▸ RELA Q04206 1/20 0.63
▸ MCL1 Q07820 1/20 0.63
▸ CYP3A4 P08684 1/20 0.55
▸ MAPK1 P28482 1/20 0.55

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
SCHEMBL8593614 0.89 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3341423 0.83 PKN1 (0.72) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8396715 0.80 ALDH1A1 (0.81) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL26731643 0.78 MEN1 (1.00) MEN1KMT2AALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL3199369 0.77 MEN1 (0.97) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL7187637 0.75 ALDH1A1 (0.68) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL27202473 0.75 ALDH1A1 (0.82) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL20982510 0.74 PKN1 (0.82) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3333916 0.73 GUSB (0.79) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL20445410 0.72 KDM4E (0.68) MEN1KMT2AALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0818562-A1 Composition for treating copper and copper alloy surfaces and method for the surface treatment MEC CO., Ltd. (JP) 1998-01-14 — — EP disclosed
Send feedback