SCHEMBL7842985

SCHEMBL7842985

O=C(O)Cc1c[nH]c(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
LMNA P02545 2/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 3/20 0.33
ABCC4 O15439 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
HTT P42858 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
SCHEMBL7846190 0.86 KEAP1 (0.41) CYP2C19NR4A1NR4A2NR4A3LMNA
SCHEMBL7832486 0.85 KDM4E (0.41) MEN1KMT2ATDP1OPRM1OPRD1
SCHEMBL6958918 0.83 TDP1 (0.34) TDP1
SCHEMBL6411394 0.82 NOTUM (0.34) TSHRL3MBTL1
SCHEMBL4968480 0.80 CTSK (0.36) OPRM1KDM4EALDH1A1MAPT
SCHEMBL6410046 0.80 ALDH1A1 (0.45) CYP2C19HIF1AMEN1KMT2AOPRM1
SCHEMBL6457920 0.79 HRH1 (0.37) SMN1; SMN2
SCHEMBL7375916 0.79
SCHEMBL7375911 0.79
SCHEMBL7802981 0.79 TSHR (0.30) KMT2ATSHR

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
EP-1140942-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-10 EP disclosed
WO-2000039130-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2000-07-06 WO disclosed