SCHEMBL11092126

SCHEMBL11092126

NC(=O)CCn1c(-c2ccccc2)cc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.78
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 2/20 0.60
MTNR1A P48039 3/20 0.59
MTNR1B P49286 3/20 0.59
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.50
NTRK1 P04629 1/20 0.47
NTRK3 Q16288 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
BACE1 P56817 4/20 0.44
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44
HAO1 Q9UJM8 1/20 0.42

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
SCHEMBL11686979 0.89 ALDH1A1 (0.63) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11691275 0.88 ALDH1A1 (1.00) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL17674338 0.85 L3MBTL1 (0.77) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL28400051 0.84 ALDH1A1 (0.76) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL22769590 0.83 ALDH1A1 (0.74) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11505491 0.80 ALDH1A1 (0.69) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11558486 0.80 ALDH1A1 (0.65) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL4651300 0.79 KDM4E (0.61) ALDH1A1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL11688249 0.79 ALDH1A1 (0.67) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL28401787 0.79 ALDH1A1 (0.67) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444684-A Azo dyes containing a diazotized 5-amino isothiazol moiety having thereon a sulfonic acid or salt group EASTMAN KODAK COMPANY (US) 1984-04-24 US disclosed
US-4419290-A COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 1983-12-06 US disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed
US-3956267-A Indole-containing disazo dyestuffs having a sulfatoalkyleneoxy-substituent BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed