SCHEMBL19219124

SCHEMBL19219124

C=Cc1cc2ccccc2cc1C=S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 3/20 0.37
PKM P14618 2/20 0.37
MAPK1 P28482 2/20 0.37
MITF O75030 1/20 0.37
CYP2C9 P11712 1/20 0.37
RAB9A P51151 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX12 P18054 2/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
EGFR P00533 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2096786 0.88 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL29434206 0.88 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL20610260 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7561007 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL18994823 0.74 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL18537209 0.74 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10119253 0.73 AR (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL21244260 0.73 CYP2A6 (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL937705 0.73 IDO1 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL14044876 0.72 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AMAPTKDM4E

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-9728726-B2 Organic electroluminescent element, material for organic electroluminescent element and light emitting device, display device, and illumination device, each employing organic electroluminescent element UDC IRELAND LIMITED (IE) 2017-08-08 US disclosed