SCHEMBL9850054

SCHEMBL9850054

Cc1cc(N=Cc2ccccc2)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPT P10636 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL28001227 0.84 MEN1 (0.58) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL10677453 0.82 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL10677448 0.82 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9849951 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL28001177 0.77 MEN1 (0.55) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL14984890 0.77 MEN1 (0.55) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9850082 0.75 MAOB (0.41) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
Benzene SCHEMBL27490159 0.74 GPR35 (0.61) ALDH1A1HPGDSMN1; SMN2MAPTPOLB
SCHEMBL27329385 0.73 LMNA (0.55) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL10694857 0.72 MEN1 (0.44) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2

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
Send feedback