SCHEMBL9849951

SCHEMBL9849951

Cc1c(N=Cc2ccccc2)ccc([N+](=O)[O-])c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ GAA P10253 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAOB P27338 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL10677448 0.88 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL10677453 0.88 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL28001227 0.81 MEN1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9850054 0.79 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL14984890 0.79 MEN1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL28001177 0.79 MEN1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9850082 0.78 MAOB (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL10694857 0.75 MEN1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL12416860 0.73 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL27329385 0.72 LMNA (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420156-A1 Wavelength modulator device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-04-03 — — EP disclosed
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