SCHEMBL9040975

SCHEMBL9040975

CCCCCCCCCCCCCCC(=O)Nc1ccc(-n2[nH]c(OCC)cc2=O)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL9040846 0.76 MAPT (0.41) CYP1A2CYP3A4KMT2AMAPTMEN1
SCHEMBL8375163 0.75 ALDH1A1 (0.41) CYP1A2CYP3A4KMT2AMAPTMEN1
SCHEMBL10033424 0.73 ALDH1A1 (0.54) CYP1A2KMT2AMAPTMEN1CRHBP
SCHEMBL30021089 0.73 ALDH1A1 (0.63) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL11257514 0.72 MEN1 (0.57) CYP1A2CYP3A4KMT2AMAPTMEN1
SCHEMBL11577373 0.72 LMNA (0.63) KMT2AMAPTMEN1NPC1SMN1; SMN2
SCHEMBL11651128 0.69 ALDH1A1 (0.54) CYP1A2CYP3A4KMT2AMAPTMEN1
SCHEMBL7774657 0.67 MEN1 (0.67) KMT2AMAPTMEN1SMN1; SMN2POLB
SCHEMBL7774833 0.67 MEN1 (0.67) KMT2AMAPTMEN1SMN1; SMN2POLB
SCHEMBL13298956 0.67 MEN1 (0.67) KMT2AMAPTMEN1SMN1; SMN2POLB

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
EP-0439215-B1 Pyrazolo [1,5A]benzimidazole photographic colour couplers EASTMAN KODAK CO (US) 1996-12-04 — — EP disclosed
US-5143821-A Improved hue characteristics EASTMAN KODAK COMPANY (US) 1992-09-01 — — US disclosed
EP-0439215-A1 Pyrazolo [1,5A]benzimidazole photographic colour couplers EASTMAN KODAK COMPANY (US) 1991-07-31 — — EP disclosed
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