SCHEMBL11077351

SCHEMBL11077351

Cc1ccc2c(c1)Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[S+]2[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ HTT P42858 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALOX5 P09917 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ CDK2 P24941 2/20 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
SCHEMBL11176919 0.85 AKR1C3 (0.44) HSP90AA1MAPTMEN1KMT2AALDH1A1
SCHEMBL10939109 0.84 HSP90AA1 (0.45) HSP90AA1MAPTMEN1KMT2AALDH1A1
SCHEMBL11072131 0.82 MAPT (0.38) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL11070853 0.82 ALDH1A1 (0.39) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL11164835 0.81 HSP90AA1 (0.39) HSP90AA1MAPTMEN1KMT2AALDH1A1
SCHEMBL11169944 0.78 KMT2A (0.38) HSP90AA1MAPTMEN1KMT2AALDH1A1
SCHEMBL11160025 0.77 ACHE (0.46) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL10800979 0.76 ACHE (0.42) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL11165237 0.74 LMNA (0.40) HSP90AA1MAPTMEN1KMT2AALDH1A1
SCHEMBL10831575 0.73 SMN1; SMN2 (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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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