SCHEMBL7477578

SCHEMBL7477578

C=C(c1ccccc1)c1c(C)n(CC)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 3/20 0.48
POLB P06746 1/20 0.48
CNR2 P34972 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CNR1 P21554 4/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL7485699 0.91 CNR2 (0.45) KDM4EALDH1A1HPGDPOLBCNR2
SCHEMBL6944584 0.91 ALDH1A1 (0.49) KDM4EALDH1A1HPGDPOLBCNR2
SCHEMBL7481996 0.89 CNR2 (0.47) KDM4EALDH1A1HPGDPOLBCNR2
SCHEMBL7480384 0.88 ALDH1A1 (0.45) KDM4EALDH1A1HPGDPOLBCNR2
SCHEMBL7487744 0.86 KDM4E (0.53) KDM4EHPGDCNR2MEN1KMT2A
SCHEMBL7480564 0.86 MEN1 (0.48) KDM4EALDH1A1HPGDPOLBCNR2
SCHEMBL9416230 0.83 ALDH1A1 (0.64) KDM4EALDH1A1HPGDPOLBCNR2
SCHEMBL7478756 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL7484951 0.82 CNR2 (0.46) KDM4EALDH1A1HPGDPOLBCNR2
Dimethylamine SCHEMBL10412111 0.81 CNR2 (0.58) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664292-B1 A phtalide compound and a near infrared absorber and a recording material each comprising the same compound YAMAMOTO CHEMICALS INC (JP) 2002-06-19 EP disclosed
US-5627287-A COLORLESS YAMAMOTO CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0664292-A1 A phtalide compound and a near infrared absorber and a recording material each comprising the same compound YAMAMOTO CHEMICALS, INC. (JP) 1995-07-26 EP disclosed