SCHEMBL28741053

SCHEMBL28741053

CC(C)(C)OC(N)=O.CCSCc1ncccc1SCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 2/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
POLB P06746 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL6235719 0.84 CHRM2 (0.37) KMT2AKDM4EMAPTPPARGPPARA
SCHEMBL28655594 0.78 L3MBTL1 (0.42) L3MBTL1PKMALDH1A1CYP2C9KMT2A
SCHEMBL28749714 0.75 MEN1 (0.48) L3MBTL1PKMALDH1A1KMT2AMAPT
SCHEMBL19968757 0.73 HTR2C (0.46) L3MBTL1PKMALDH1A1CYP2C9KMT2A
SCHEMBL24058148 0.72 IDO1 (0.43) L3MBTL1PKMALDH1A1CYP2C9KMT2A
SCHEMBL30024860 0.72 IDO1 (0.43) L3MBTL1PKMALDH1A1CYP2C9KMT2A
Ethylbenzene SCHEMBL27571280 0.72 TP53 (0.50) ALDH1A1KMT2AMAPTPPARGPPARA
SCHEMBL17010335 0.71 ALDH1A1 (0.50) L3MBTL1PKMALDH1A1CYP2C9KMT2A
SCHEMBL27511261 0.71 POLB (0.46) L3MBTL1PKMALDH1A1CYP2C9KMT2A
SCHEMBL24058160 0.69 POLB (0.53) L3MBTL1PKMALDH1A1CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1206231-C 7-acylamino-3-heteroarylthio-3-cephem carboxylic and prodrugs thereof BASIC THERAPY INC (US) 2005-06-15 CN disclosed
CN-1451011-A 7-acylamino-3-heteroarylthio-3-cephem carboxylic acid antibiotics and prodrugs thereof BASIC THERAPY INC (US) 2003-10-22 CN disclosed