SCHEMBL11108653

SCHEMBL11108653

COCCN(CCOC)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP19A1 P11511 7/20 0.41
▸ HTT P42858 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE7A Q13946 1/20 0.40

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
SCHEMBL11108645 0.86 CYP19A1 (0.42) ALDH1A1KDM4EMAPTCYP19A1HTT
SCHEMBL10853097 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTCYP19A1HTT
SCHEMBL993966 0.78 POLB (0.44) ALDH1A1KDM4EMAPTCYP19A1HTT
SCHEMBL11145873 0.77 CYP19A1 (0.43) ALDH1A1MAPTCYP19A1POLBCYP3A4
SCHEMBL10502056 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ECYP19A1HTTTP53
Water SCHEMBL11430935 0.76 CYP19A1 (0.43) ALDH1A1MAPTCYP19A1POLBCYP3A4
SCHEMBL11236899 0.75 CYP19A1 (0.44) ALDH1A1MAPTCYP19A1POLBCYP3A4
SCHEMBL11111278 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTCYP19A1HTT
SCHEMBL11615416 0.74 ALDH1A1 (0.48) ALDH1A1KDM4ECYP19A1HTTTP53
SCHEMBL8524435 0.72 ALDH1A1 (0.43) ALDH1A1KDM4ECYP19A1HTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0106357-A2 Heat-developable color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1984-04-25 — — EP disclosed
US-4250246-A MAGENTA DYE-RELEASING REDOX COMPOUND; COLORFASTNESS FUJI PHOTO FILM CO., LTD. (JP) 1981-02-10 — — US disclosed
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