SCHEMBL12445225

SCHEMBL12445225

C=C(Nn1cnnc1)c1cc(C)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.39

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
SCHEMBL3470686 0.73 MEN1 (0.63) KMT2AMEN1RAB9APOLBALDH1A1
SCHEMBL21020549 0.71 TDP1 (0.44) KMT2AMEN1RAB9AMAPTPOLB
SCHEMBL20831063 0.70 KMT2A (0.43) KMT2AMEN1RAB9AMAPTPOLB
SCHEMBL20076688 0.69 GABRA1 (0.41) KMT2AMEN1RAB9APOLBALDH1A1
SCHEMBL21022200 0.69 KDM4E (0.54) KMT2AL3MBTL1MEN1RAB9AMAPT
SCHEMBL21021757 0.68 MEN1 (0.54) KMT2AL3MBTL1MEN1RAB9AMAPT
SCHEMBL21019686 0.68 RAB9A (0.42) KMT2AL3MBTL1MEN1RAB9AMAPT
SCHEMBL21021625 0.67 RAB9A (0.41) KMT2AL3MBTL1MEN1RAB9AMAPT
SCHEMBL21022158 0.67 RORC (0.47) KMT2AMEN1RAB9AMAPTPOLB
SCHEMBL21020666 0.67 F10 (0.47) KMT2AMEN1RAB9A

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-2011097600-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2011-08-11 WO disclosed