SCHEMBL8593614

SCHEMBL8593614

CC#Cc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 5/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ APP P05067 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ SNCA P37840 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ RHEB Q15382 2/20 0.50
▸ GUSB P08236 1/20 0.48

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
SCHEMBL8593619 0.89 MEN1 (0.63) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL3333407 0.83 RHEB (0.68) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL3335014 0.80 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL9033307 0.80 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL9032997 0.78 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL2246334 0.78 ALDH1A1 (0.77) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL3337292 0.78 GUSB (0.57) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL9032508 0.77 RHEB (0.72) ALDH1A1HPGDMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL3199354 0.77 ALDH1A1 (0.75) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL15245075 0.76 RHEB (0.70) ALDH1A1HPGDMEN1KMT2AKDM4E

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
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