SCHEMBL8524402

SCHEMBL8524402

Cc1ccc2c(c1)/C(=N\O)CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDK2 Q15119 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CASP3 P42574 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8524405 1.00 CYP2C19 (0.35) CYP2C19ALDH1A1CYP3A4RAB9AKDM4E
SCHEMBL8698223 1.00 CYP2C19 (0.35) CYP2C19ALDH1A1CYP3A4RAB9AKDM4E
SCHEMBL5219527 0.83 PDE4B (0.36) CYP2C19USP2L3MBTL1TDP1HTT
SCHEMBL6000705 0.83 PDE4B (0.36) CYP2C19USP2L3MBTL1TDP1HTT
SCHEMBL2062037 0.80 MAPT (0.45) CYP2C19ALDH1A1CYP3A4RAB9AKDM4E
SCHEMBL2062036 0.80 MAPT (0.45) CYP2C19ALDH1A1CYP3A4RAB9AKDM4E
SCHEMBL1119857 0.78 HPGD (0.44) CYP2C19ALDH1A1SMN1; SMN2USP2L3MBTL1
SCHEMBL8525588 0.78 HPGD (0.44) CYP2C19ALDH1A1SMN1; SMN2USP2L3MBTL1
SCHEMBL4970172 0.78 HPGD (0.44) CYP2C19ALDH1A1SMN1; SMN2USP2L3MBTL1
SCHEMBL2063614 0.78 MAPT (0.43) ALDH1A1CYP3A4KDM4ETSHRL3MBTL1

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
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed