SCHEMBL9849940

SCHEMBL9849940

Cc1cccc(/N=C\c2ccccc2[N+](=O)[O-])c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ APAF1 O14727 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ SAE1 Q9UBE0 1/20 0.52
▸ UBA2 Q9UBT2 1/20 0.52
▸ MAPT P10636 5/20 0.51
▸ LMNA P02545 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ THRB P10828 1/20 0.49
▸ PTBP1 P26599 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL27930462 0.90 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2TSHRAPAF1ATM
SCHEMBL10677453 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRAPAF1ATM
SCHEMBL10677448 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRAPAF1ATM
SCHEMBL9850040 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2APAF1ATMSAE1
SCHEMBL3166963 0.78 APAF1 (0.59) ALDH1A1SMN1; SMN2APAF1ATMSAE1
SCHEMBL12416827 0.78 APAF1 (0.52) ALDH1A1SMN1; SMN2APAF1ATMSAE1
SCHEMBL12417020 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2APAF1ATMSAE1
SCHEMBL3490492 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRAPAF1ATM
SCHEMBL3490491 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRAPAF1ATM
SCHEMBL9174287 0.76 MEN1 (0.55) ALDH1A1SMN1; SMN2MAPTLMNAHTT

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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