SCHEMBL7481996

SCHEMBL7481996

C=C(c1ccc(Cl)cc1)c1c(C)n(CC)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.47
CXCR3 P49682 1/20 0.46
CNR1 P21554 4/20 0.43
HPGD P15428 2/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.41

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 0.89 CNR2 (0.45) CNR2CNR1HPGDGMNNLMNA
SCHEMBL7477578 0.89 KDM4E (0.48) CNR2CNR1HPGDGMNNLMNA
SCHEMBL6944584 0.85 ALDH1A1 (0.49) CNR2CNR1HPGDGMNNLMNA
SCHEMBL7487744 0.84 KDM4E (0.53) CNR2CNR1HPGDGMNNLMNA
SCHEMBL7480564 0.84 MEN1 (0.48) CNR2CNR1HPGDGMNNLMNA
SCHEMBL28805642 0.83 TDP1 (0.55) CNR2CXCR3CNR1HPGDGMNN
SCHEMBL7480384 0.80 ALDH1A1 (0.45) CNR2CNR1HPGDGMNNLMNA
SCHEMBL7484951 0.78 CNR2 (0.46) CNR2CNR1HPGDLMNACYP1A2
SCHEMBL9416230 0.76 ALDH1A1 (0.64) CNR2CNR1HPGDGMNNLMNA
SCHEMBL9581199 0.75 TSHR (0.46) CNR2CNR1HPGDGMNNLMNA

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