SCHEMBL7478756

SCHEMBL7478756

C=C(c1ccccc1)c1c(-c2ccccc2)n(CC)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
ALDH1A1 P00352 6/20 0.68
POLB P06746 1/20 0.68
HPGD P15428 1/20 0.68
NPC1 O15118 3/20 0.61
MAPT P10636 3/20 0.61
HTT P42858 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
RCE1 Q9Y256 1/20 0.47
CLK1 P49759 1/20 0.46
GRIK2 Q13002 2/20 0.45
AGTR1 P30556 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HCRTR1 O43613 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL6952191 0.93 ALDH1A1 (0.73) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL9416230 0.86 ALDH1A1 (0.64) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL7483463 0.84 KDM4E (0.52) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL7477578 0.82 KDM4E (0.48) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL9353406 0.79 ALDH1A1 (0.55) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL14142602 0.78 ALDH1A1 (0.78) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL9581133 0.77 KDM4E (0.55) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL9685003 0.77 CYP19A1 (0.54) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL7485699 0.74 CNR2 (0.45) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL23665263 0.73 GRIK2 (0.72) KDM4EALDH1A1POLBHPGDNPC1

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