SCHEMBL10939109

SCHEMBL10939109

O=C(O)c1cc([N+](=O)[O-])cc2c1Cc1ccccc1[S+]2[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.45
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MYC P01106 1/20 0.37
▸ MAX P61244 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CES2 O00748 2/20 0.36
▸ CES1 P23141 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL11165237 0.86 LMNA (0.40) HSP90AA1MEN1KMT2AMAPTALDH1A1
SCHEMBL11077351 0.84 HSP90AA1 (0.40) HSP90AA1MEN1KMT2AMAPTALDH1A1
SCHEMBL10831575 0.83 SMN1; SMN2 (0.42) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL10941810 0.82 ALDH1A1 (0.36) HSP90AA1MEN1KMT2AMAPTGAA
SCHEMBL10726473 0.82 SRD5A2 (0.37) HSP90AA1MEN1KMT2APOLBALDH1A1
SCHEMBL11176919 0.82 AKR1C3 (0.44) HSP90AA1CTSVCTSLMEN1KMT2A
SCHEMBL11164835 0.81 HSP90AA1 (0.39) HSP90AA1CTSVCTSLMEN1KMT2A
SCHEMBL2695636 0.81 TRPA1 (0.47) HSP90AA1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL11177770 0.81 AKR1C3 (0.38) HSP90AA1MEN1KMT2APOLBMAPT
SCHEMBL11170702 0.81 HSP90AA1 (0.43) HSP90AA1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4560643-A BLEND OF AROMATIC KETONE, POLYMER, AND GROUP IB OR EIGHT METAL SALT CIBA GEIGY CORPORATION (US) 1985-12-24 — — US disclosed
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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