SCHEMBL8140201

SCHEMBL8140201

CN(C)c1ccc(C(=CC=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
HPGD P15428 4/20 0.59
NPC1 O15118 4/20 0.59
KMT2A Q03164 7/20 0.55
MEN1 O00255 4/20 0.55
ALDH1A1 P00352 10/20 0.51
GFER P55789 1/20 0.51
MAPT P10636 9/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CASP3 P42574 1/20 0.49
CYP1B1 Q16678 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
KCNK3 O14649 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.45
PKM P14618 2/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL8140199 1.00 RAB9A (0.59) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL8994723 0.93 ALDH1A1 (0.54) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL8184701 0.89 RAB9A (0.62) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL8153001 0.89 RAB9A (0.62) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL8153005 0.89 RAB9A (0.62) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL25317423 0.84 MAPT (0.53) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL25321662 0.84 ALDH1A1 (0.56) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL9592865 0.84 ALDH1A1 (0.45) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL9592872 0.84 ALDH1A1 (0.45) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL376723 0.82 ALDH1A1 (0.48) HPGDKMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150065-A 1-(P-AMINOPHENYL)-1,4,4-TRIPHENYLBUTADIENE DERIVATIVE CHARGE TRANSFER COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-11-21 US disclosed
EP-0651024-B1 Method of producing polymethine dyes MINNESOTA MINING & MFG (US) 1996-08-14 EP disclosed
EP-0651024-A1 Method of producing polymethine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-05-03 EP disclosed
US-5386058-A Method of producing polymethine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-31 US disclosed