SCHEMBL14970872

SCHEMBL14970872

C1=CC(CSc2nccn2Cc2ccccc2)=CCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX12 P18054 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 5/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 2/20 0.51
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL14970909 0.74 CYP1A2 (1.00) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL7215316 0.72 ALDH1A1 (0.60) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL5801622 0.72 ALDH1A1 (0.63) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL25723979 0.71 ALDH1A1 (0.61) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL1520402 0.70 ALDH1A1 (0.80) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL7215334 0.70 MEN1 (0.60) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL14970859 0.68 ALDH1A1 (0.67) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL1520491 0.68 MEN1 (0.58) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL10691328 0.68 POLB (0.41) POLB
SCHEMBL4265964 0.64 CYP1A2 (0.60) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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-2013074059-A2 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-23 WO disclosed