SCHEMBL11070852

SCHEMBL11070852

CCCCOC(=O)c1cc([N+](=O)[O-])cc2sc3ccc(C)cc3c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 4/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 2/20 0.38
COMT P21964 1/20 0.38
ESR1 P03372 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 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
SCHEMBL11072127 0.83 POLB (0.42) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL3248484 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TDP1TSHR
SCHEMBL11176819 0.81 MAPT (0.40) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL11077349 0.81 MAPT (0.40) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL10831569 0.80 GABRP (0.45) ALDH1A1KMT2AMEN1MAPTGPR55
SCHEMBL4536611 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL10941800 0.77 MAOA (0.43) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL11168206 0.75 MAPT (0.46) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL10939086 0.74 MAOA (0.40) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL51151 0.73 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4480105-A PHOTOCROSSLINKING POLYMERS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
US-4385182-A SENSITIZERS OR PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1983-05-24 US disclosed
US-4363917-A SENSITIZERS FOR PHOTOCROSSLINKABLE POLYMERS; PHOTOPOLYMERIZATION INITIATORS CIBA-GEIGY CORPORATION (US) 1982-12-14 US disclosed