SCHEMBL9185698

SCHEMBL9185698

CCCCN(CCCC)c1ccc(C2(c3ccc(N(CC)CC)cc3C)OC(=O)c3cccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 3/20 0.37
HPGD P15428 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 5/20 0.36
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 2/20 0.36
ALOX12 P18054 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
GFER P55789 1/20 0.32

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
SCHEMBL9181610 0.93 ALDH1A1 (0.47) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL9186491 0.88 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL9183024 0.88 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL9185734 0.87 MAPT (0.41) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL9319672 0.86 ALDH1A1 (0.49) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL9254824 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL9320171 0.83 ALDH1A1 (0.57) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL9262973 0.83 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL8064633 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL9187880 0.82 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDTDP1HIF1A

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-5401699-A Thermosensitive elements with color developers, fluoran derivatives and azaphthalides KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-03-28 US disclosed