SCHEMBL9850040

SCHEMBL9850040

Cc1ccc(C)c(/N=C\c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.66
▸ MAPT P10636 8/20 0.66
▸ MEN1 O00255 5/20 0.66
▸ KMT2A Q03164 5/20 0.66
▸ POLB P06746 3/20 0.66
▸ BLM P54132 1/20 0.66
▸ DHODH Q02127 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ THRB P10828 2/20 0.48
▸ PTBP1 P26599 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ ATM Q13315 2/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.45

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 0.85 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2139660 0.80 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2139662 0.80 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9850078 0.79 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9849940 0.79 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL12416865 0.77 MAPT (0.56) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9174473 0.77 NFE2L2 (0.56) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL22624794 0.76 MAPT (0.66) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL28483618 0.76 MAPT (0.66) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL802038 0.75 DHODH (0.78) ALDH1A1MAPTMEN1KMT2APOLB

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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