SCHEMBL9839770

SCHEMBL9839770

CN(C)c1ccc(C(=CC(C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)CC(=O)c2ccc(Cl)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
POLB P06746 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
UTS2R Q9UKP6 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
HPGD P15428 2/20 0.41
GSK3B P49841 2/20 0.40
RECQL P46063 1/20 0.40
BCL2L1 Q07817 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL9749600 0.87 RAB9A (0.53) ALDH1A1POLBTDP1MAPTKDM4E
SCHEMBL9838217 0.86 CNR2 (0.43) ALDH1A1POLBTDP1MAPTKDM4E
SCHEMBL9839761 0.84 EGFR (0.42) ALDH1A1POLBTDP1KDM4EKMT2A
SCHEMBL9839734 0.82 EGFR (0.44) ALDH1A1POLBTDP1MAPTGSK3B
SCHEMBL9503695 0.78 POLB (0.54) ALDH1A1POLBTDP1MAPTKDM4E
SCHEMBL9750086 0.76 ALDH1A1 (0.42) ALDH1A1POLBTDP1MAPTKDM4E
SCHEMBL9839756 0.74 HSD11B1 (0.51) ALDH1A1POLBTDP1MAPTKDM4E
SCHEMBL9750115 0.73 ALDH1A1 (0.55) ALDH1A1POLBTDP1MAPTKDM4E
SCHEMBL9840321 0.72 CNR2 (0.43) ALDH1A1MAPTKMT2AHPGDL3MBTL1
SCHEMBL22448583 0.72 ALDH1A1 (0.55) ALDH1A1POLBTDP1MAPTKDM4E

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-5057154-A Colorfastness, stability RICOH COMPANY, LTD. (JP) 1991-10-15 US disclosed
US-4939117-A Leuco dyes and recording material employing the same RICOH COMPANY, LTD. (JP) 1990-07-03 US disclosed