SCHEMBL11070853

SCHEMBL11070853

CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1Cc1cc(C)ccc1[S+]2[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ESR1 P03372 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TRPA1 O75762 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ CACNA1F O60840 2/20 0.35
▸ CACNA1D Q01668 2/20 0.35
▸ CACNA1S Q13698 2/20 0.35
▸ CACNA1C Q13936 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ BCL9 O00512 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
SCHEMBL3248488 0.85 TRPA1 (0.48) ALDH1A1KMT2ATDP1MEN1ESR1
SCHEMBL10831575 0.80 SMN1; SMN2 (0.42) ALDH1A1KMT2AMEN1TSHRCACNA1F
SCHEMBL10941810 0.77 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL11168208 0.75 ALDH1A1 (0.36) ALDH1A1KMT2ATDP1MEN1TSHR
SCHEMBL11173454 0.73 TSHR (0.46) ALDH1A1TDP1ESR1TSHRL3MBTL1
SCHEMBL6245883 0.73 TRPA1 (0.57) ALDH1A1TDP1ESR1TSHRL3MBTL1
SCHEMBL11176919 0.73 AKR1C3 (0.44) ALDH1A1KMT2AMEN1L3MBTL1PKM
SCHEMBL11165237 0.72 LMNA (0.40) ALDH1A1KMT2AMEN1TRPA1LMNA
SCHEMBL11172708 0.70 ALDH1A1 (0.48) ALDH1A1TDP1TSHRL3MBTL1TRPA1
SCHEMBL7734041 0.70 TDP1 (0.58) ALDH1A1KMT2ATDP1MEN1ESR1

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
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