SCHEMBL9876909

SCHEMBL9876909

CN(C)CCCOc1ccc(-c2nn(-c3cccc(OCCCN(C)C)c3)c3ncccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.44
FGFR1 P11362 2/20 0.42
SRC P12931 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
KDR P35968 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PSMB5 P28074 2/20 0.40
CXCR1 P25024 1/20 0.40
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL9877072 0.95 GSK3B (0.43) FGFR1SRCCYP2D6CYP2C9CYP1A2
SCHEMBL9235049 0.93 LSS (0.42) LSSFGFR1SRCCYP3A4CYP2D6
SCHEMBL9876856 0.93 KDM4E (0.43) LSSFGFR1SRCCYP3A4CYP2D6
SCHEMBL9231684 0.93 ALOX5 (0.42) LSSFGFR1SRCCYP3A4CYP2D6
Fumaric Acid SCHEMBL9234624 0.92 LSS (0.43) LSSFGFR1SRCCYP3A4CYP2D6
Fumaric Acid SCHEMBL9234618 0.92 LSS (0.43) LSSFGFR1SRCCYP3A4CYP2D6
SCHEMBL9234476 0.88 TNK2 (0.44) FGFR1SRCKDM4EALDH1A1GSK3B
SCHEMBL9876897 0.88 KDM4E (0.42) FGFR1SRCKDM4ESMN1; SMN2GSK3B
SCHEMBL9876652 0.88 LSS (0.44) LSSCYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL9876882 0.87 LSS (0.52) LSSFGFR1SRCCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed