SCHEMBL6536732

SCHEMBL6536732

[c]1ccc(OCCCCc2nnn[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 2/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3161543 0.95 SMN1; SMN2 (0.34) MEN1KMT2ASMN1; SMN2CYP19A1CYP2C9
SCHEMBL3170160 0.91
SCHEMBL5757984 0.81 NPC1 (0.32) SMN1; SMN2
SCHEMBL3168750 0.78 HRH3 (0.32) KCNA3HSD17B10
SCHEMBL6536730 0.75 MEN1 (0.30) MEN1KMT2ALMNANPSR1HSD17B10
SCHEMBL9127869 0.75 CYP3A4 (0.41) SMN1; SMN2CYP2C9CYP2C19
SCHEMBL9127864 0.75 CYP3A4 (0.41) SMN1; SMN2CYP2C9CYP2C19
SCHEMBL12869123 0.74 LMNA (0.49) MEN1KMT2ASMN1; SMN2CYP19A1CYP2C9
SCHEMBL917160 0.74 HRH1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL15459055 0.74 MEN1 (0.46) MEN1KMT2ASMN1; SMN2CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326605-A4 METHODS FOR INHIBITING PROLIFERATION AND INDUCING APOPTOSIS IN CANCER CELLS UNIV CREIGHTON (US) 2004-03-17 EP disclosed
EP-1326605-A1 METHODS FOR INHIBITING PROLIFERATION AND INDUCING APOPTOSIS IN CANCER CELLS CREIGHTON UNIVERSITY (US) 2003-07-16 EP disclosed
WO-2001085166-A1 METHODS FOR INHIBITING PROLIFERATION AND INDUCING APOPTOSIS IN CANCER CELLS CREIGHTON UNIVERSITY (US) 2001-11-15 WO disclosed