SCHEMBL28052121

SCHEMBL28052121

C=CCn1c2ccccc2sc2cc3c(cc21)sc1ccccc1n3CC=C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CASP3 P42574 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL3034960 0.81 L3MBTL1 (0.60) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL4542872 0.79 L3MBTL1 (0.42) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL8635622 0.79 F12 (0.49) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL6910808 0.79 ALDH1A1 (0.46) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL515403 0.78 LMNA (0.43) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL11412871 0.76 ALDH1A1 (0.49) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL11412874 0.76 ALDH1A1 (0.49) L3MBTL1KDM4EPKMTSHRMAPK1
Hydrochloric Acid SCHEMBL11407926 0.73 ALDH1A1 (0.50) L3MBTL1KDM4EPKMHTTLMNA
Hydrochloric Acid SCHEMBL11407925 0.73 ALDH1A1 (0.50) L3MBTL1KDM4EPKMHTTLMNA
SCHEMBL146503 0.71 CYP1A2 (0.56) KDM4ETSHRHTTLMNAALDH1A1

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-105348301-A Phenothiazines intermediate and preparation method therefor WUHAN INST TECHNOLOGY 2016-02-24 CN disclosed
CN-105294735-A Phenothiazine organic small molecule donor and preparation method thereof WUHAN INST TECHNOLOGY 2016-02-03 CN disclosed