SCHEMBL7480564

SCHEMBL7480564

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
CYP2C19 P33261 4/20 0.43
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP1A2 P05177 3/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP3A4 P08684 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 4/20 0.42
MAPK1 P28482 4/20 0.42
CNR2 P34972 4/20 0.42
TSHR P16473 2/20 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
SCHEMBL7485699 0.87 CNR2 (0.45) MEN1KMT2AALDH1A1HPGDCYP2C19
SCHEMBL7477578 0.86 KDM4E (0.48) MEN1KMT2AALDH1A1HPGDCYP2C19
SCHEMBL9084542 0.86 CNR2 (0.53) CNR2CNR1
SCHEMBL7481996 0.84 CNR2 (0.47) MEN1KMT2AALDH1A1HPGDCYP2C19
SCHEMBL6944584 0.83 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HPGDCYP2C19
SCHEMBL7487744 0.82 KDM4E (0.53) MEN1KMT2AHPGDCYP2C19MAPT
SCHEMBL7480384 0.78 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDCYP2C19
SCHEMBL14501185 0.76 TDP1 (0.55) MEN1KMT2AALDH1A1HPGDCYP2C19
SCHEMBL7484951 0.76 CNR2 (0.46) MEN1KMT2AALDH1A1HPGDCYP2C19
SCHEMBL9086791 0.76 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HPGDCYP2C19

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 5 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
US-4119776-A Vinyl phthalide color formers NCR CORPORATION (US) 1978-10-10 US disclosed
US-4107428-A PHTHALIDE COMPOUNDS NCR CORPORATION (US) 1978-08-15 US disclosed