SCHEMBL7558368

SCHEMBL7558368

CCCc1ccc(NC2=CC(=O)SC2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CNR1 P21554 1/20 0.30
DHODH Q02127 2/20 0.30
PKM P14618 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RAB9A P51151 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
SCHEMBL7593511 0.93 CTRC (0.36) P2RX3KMT2AMEN1MAPTMAPK1
SCHEMBL7517108 0.91 MEN1 (0.38) KMT2AMEN1POLBLMNADHODH
SCHEMBL7554427 0.80 RAPGEF4 (0.46) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL7523160 0.77 MAPT (0.37) P2RX3KMT2AMEN1MAPTMAPK1
SCHEMBL7517549 0.77 P2RX3 (0.38) P2RX3KMT2AMEN1MAPTMAPK1
SCHEMBL7515289 0.75 MAPT (0.45) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL7522460 0.74 MAPT (0.42) KMT2AMEN1MAPTLMNAHTT
SCHEMBL7522665 0.70 CTRC (0.39) P2RX3KMT2AMEN1MAPTMAPK1
SCHEMBL7560746 0.70 KDM4E (0.46) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL7523106 0.67 MEN1 (0.38) KMT2AMEN1MAPTMAPK1POLB

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-1173420-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2002-01-23 EP disclosed
WO-2000053581-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2000-09-14 WO disclosed