SCHEMBL28021793

SCHEMBL28021793

COC(=O)CCNc1c2ccccc2nc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.77
POLB P06746 9/20 0.59
KDM4E B2RXH2 7/20 0.59
RAD52 P43351 5/20 0.59
GAA P10253 5/20 0.59
GLA P06280 4/20 0.59
RAB9A P51151 4/20 0.59
TTR P02766 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
MITF O75030 1/20 0.59
KMT2A Q03164 4/20 0.52
SLC2A1 P11166 3/20 0.52
NPC1 O15118 1/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
MAPT P10636 4/20 0.51
CACNA2D1 P54289 1/20 0.49
CASP3 P42574 1/20 0.48
MEN1 O00255 1/20 0.47

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 SCHEMBL27538864 0.98 TOP2A (0.75) TOP2APOLBKDM4ERAD52GAA
Hydrochloric Acid SCHEMBL27513613 0.98 TOP2A (0.75) TOP2APOLBKDM4ERAD52GAA
SCHEMBL17423141 0.84 TOP2A (0.59) TOP2APOLBKDM4ERAD52GAA
SCHEMBL14740714 0.84 TOP2A (0.60) TOP2APOLBKDM4ERAD52GAA
SCHEMBL3360006 0.84 POLB (0.67) TOP2APOLBKDM4ERAD52GAA
SCHEMBL31237400 0.82 CHRM2 (0.66) TOP2APOLBKDM4ERAD52GAA
SCHEMBL15056684 0.78 KDM4E (0.56) TOP2APOLBKDM4EGAAGLA
SCHEMBL16009463 0.78 TOP2A (0.50) TOP2AKDM4EALDH1A1LMNAKMT2A
SCHEMBL7880366 0.78 POLB (0.78) TOP2APOLBKDM4ERAD52GAA
SCHEMBL6777520 0.78 TOP2A (0.56) TOP2APOLBKDM4ERAD52GAA

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
CN-104788373-A Method for synthesizing compound S-303 hydrochloride UNIV WUHAN 2015-07-22 CN claimed