SCHEMBL9749589

SCHEMBL9749589

COC(=O)C(C(=O)OC)C(C=C(c1ccccc1)c1ccc(N(C)C)cc1)C=C(c1ccccc1)c1ccc(N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 9/20 0.48
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 3/20 0.44
MAPK1 P28482 2/20 0.44
KCNK3 O14649 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 4/20 0.43
PKM P14618 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9750046 0.89 ALDH1A1 (0.44) RAB9ANPC1HPGDALDH1A1MAPT
SCHEMBL9750389 0.88 MAOB (0.50) RAB9ANPC1HPGDALDH1A1MAPT
SCHEMBL9750115 0.88 ALDH1A1 (0.55) RAB9ANPC1HPGDALDH1A1MAPT
SCHEMBL9839519 0.85 RAB9A (0.54) RAB9ANPC1HPGDALDH1A1MAPT
SCHEMBL9838206 0.78 ALDH1A1 (0.48) RAB9ANPC1HPGDALDH1A1MAPT
SCHEMBL9750108 0.77 MAOB (0.47) RAB9ANPC1HPGDALDH1A1MAPT
SCHEMBL9749954 0.74 MAPT (0.45) RAB9ANPC1HPGDALDH1A1MAPT
SCHEMBL5858490 0.73 KMT2A (0.50) ALDH1A1GAATSHRKMT2AMEN1
SCHEMBL5858485 0.73 KMT2A (0.50) ALDH1A1GAATSHRKMT2AMEN1
SCHEMBL9749600 0.72 RAB9A (0.53) RAB9ANPC1HPGDALDH1A1MAPT

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