SCHEMBL9750095

SCHEMBL9750095

C=C(c1ccc(OC)cc1)c1ccc(N(CCCC)CCCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
EGFR P00533 2/20 0.43
ERBB2 P04626 1/20 0.43
CNR2 P34972 2/20 0.43
NR1I2 O75469 1/20 0.42
PKM P14618 1/20 0.40
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
MAPT P10636 2/20 0.39
PPARG P37231 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL1573445 0.87 CNR2 (0.47) EGFRERBB2CNR2NR1I2SLC16A3
SCHEMBL9822870 0.87 EGFR (0.40) EGFRERBB2NR1I2PKMMAPT
SCHEMBL9749949 0.85 MEN1 (0.50) HDAC3HDAC1HDAC2EGFRERBB2
SCHEMBL9502935 0.84 MAPT (0.49) CNR2NR1I2MAPTSMN1; SMN2NPC1
SCHEMBL10473319 0.83 EGFR (0.47) HDAC3HDAC1HDAC2EGFRERBB2
SCHEMBL610171 0.83 MEN1 (0.56) HDAC1EGFRERBB2CNR2GAA
SCHEMBL9823062 0.82 ALDH1A1 (0.43) EGFRERBB2SMN1; SMN2NPC1RAB9A
SCHEMBL24359339 0.82 CNR2 (0.52) EGFRCNR2NR1I2SLC16A3SLC16A1
SCHEMBL609089 0.77 EGFR (0.50) EGFRERBB2CNR2MAPTGAA
SCHEMBL9822955 0.77 MEN1 (0.53) EGFRERBB2CNR2NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed