SCHEMBL11267753

SCHEMBL11267753

CC(C)(C)c1nc2cc(Cl)ccc2nc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PIK3CG P48736 1/20 0.40
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
DYRK1A Q13627 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
POLB P06746 1/20 0.35
HRH4 Q9H3N8 3/20 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
SCHEMBL11300234 0.82 MAPT (0.49) ALDH1A1KDM4EMEN1USP2MAPT
SCHEMBL29581721 0.81 HSD17B10 (0.53) ALDH1A1KDM4EMEN1USP2MAPT
SCHEMBL6109697 0.81 HSD17B10 (0.53) ALDH1A1KDM4EMEN1USP2MAPT
SCHEMBL2608419 0.77 MAPT (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL11425111 0.77 KMT2A (0.64) ALDH1A1KDM4EMEN1USP2MAPT
SCHEMBL15423672 0.76 KDM4E (0.41) ALDH1A1KDM4EMEN1USP2MAPT
SCHEMBL11280556 0.74 GLP1R (0.54) ALDH1A1KDM4EMEN1USP2MAPT
SCHEMBL5157381 0.72 PIK3CG (0.58) ALDH1A1KDM4EMEN1USP2MAPT
SCHEMBL30753420 0.72 KDM4E (0.49) ALDH1A1KDM4EMEN1USP2MAPT
SCHEMBL2368025 0.71 HSD17B10 (0.52) ALDH1A1KDM4EMEN1USP2MAPT

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
EP-0018493-B1 2-SULFONYL-QUINOXALINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES BAYER AG (DE) 1982-12-01 EP disclosed
EP-0018493-A1 2-Sulfonyl-quinoxalines, processes for their preparation and their use as microbicides BAYER AG (DE) 1980-11-12 EP disclosed