SCHEMBL9152020

SCHEMBL9152020

C=COC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ CTSD P07339 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11651940 0.86 GPR35 (0.47) ALDH1A1CTSDKMT2AMAPTCYP1A2
SCHEMBL9811355 0.85 ALDH1A1 (0.54) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL3935093 0.81 ALDH1A1 (0.58) ALDH1A1CTSDKMT2AGAASMN1; SMN2
SCHEMBL6968113 0.81 ALDH1A1 (0.58) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL6551442 0.80 ALDH1A1 (0.61) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL2289848 0.80 ALDH1A1 (0.61) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL15175 0.80 CYP3A4 (0.55) ALDH1A1NPC1CYP3A4KDM4ETDP1
SCHEMBL4288671 0.80 CYP3A4 (0.68) ALDH1A1CTSDKMT2ANPC1RAB9A
SCHEMBL827585 0.79 ALDH1A1 (0.59) ALDH1A1CTSDKMT2ANPC1RAB9A
Ethylene SCHEMBL29113890 0.78 CYP3A4 (0.53) ALDH1A1NPC1CYP3A4KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407892-A Using ampholytic latex as binder; support coated with composition containing stilt agent, binder and anionic microcapsules MITSUBISHI PAPER MILLS LIMITED (JP) 1995-04-18 — — US disclosed
US-5288687-A Having dried coating of amphoteric latex binder with anionic microcapsules containing color former MITSUBISHI PAPER MILLS LIMITED (JP) 1994-02-22 — — US disclosed
US-4189611-A USED TO MAKE DIOXOLANES WHICH ENDCAP AND COPOLYMERIZE WITH POLYOXYMETHYLENE GLYCOL MAKING IT HEAT RESISTANT, PRINTING PLATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-02-19 — — US disclosed
US-4111960-A Substituted dioxolanes and photosensitive and degradable polymers useful in imaging E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-09-05 — — US disclosed
US-3991033-A CONTAINING O-NITROPHENYL GROUPS E. I. DU PONT DE NEMOURS & COMPANY (US) 1976-11-09 — — US disclosed
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