SCHEMBL8960103

SCHEMBL8960103

C=C=C1N=Cc2cc(OC(C)C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MCL1 Q07820 2/20 0.35
CRHR1 P34998 1/20 0.34
KMT2A Q03164 2/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PARP10 Q53GL7 1/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
MAPK1 P28482 1/20 0.32
STAT1 P42224 1/20 0.32

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
SCHEMBL8960024 0.82 CYP1A1 (0.40) ALDH1A1KMT2AHPGDGAAMEN1
SCHEMBL7754892 0.68 ALDH1A1 (0.38) ALDH1A1MCL1KMT2APDK2PARP10
SCHEMBL339527 0.64 ALDH1A1 (0.52) ALDH1A1KMT2APDK2HPGDPARP10
SCHEMBL29629324 0.62 ALDH1A1 (0.54) ALDH1A1MCL1KMT2AKDM4EHPGD
SCHEMBL22325682 0.62 ALDH1A1 (0.54) ALDH1A1MCL1KMT2AKDM4EHPGD
SCHEMBL125543 0.61 ALDH1A3 (0.64) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL4895426 0.61 ALDH1A1 (0.44) ALDH1A1MCL1KMT2APDK2KDM4E
SCHEMBL16309634 0.61 BRD4 (0.38) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL29660560 0.61 NPC1 (0.51) ALDH1A1MCL1KMT2APDK2PARP10
SCHEMBL995436 0.61 NPC1 (0.51) ALDH1A1MCL1KMT2APDK2PARP10

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
US-5510456-A Bridged cyclic arleneethylene polymers SHOWA DENKO K. K. (JP) 1996-04-23 US disclosed