SCHEMBL9178902

SCHEMBL9178902

CCC1=Nc2ccc(C)cc2C(=S)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.32
MAPT P10636 4/20 0.32
MEN1 O00255 3/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
MYH9 P35579 1/20 0.32
MYH10 P35580 1/20 0.32
CASP7 P55210 1/20 0.32
HBB P68871 1/20 0.32
RXFP1 Q9HBX9 1/20 0.30
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 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
SCHEMBL23920265 0.76 PDE3B (0.38) KMT2AMAPTKDM4ENPC1PKM
SCHEMBL22085081 0.73 SHMT2 (0.33) KMT2AMAPTKDM4ENPC1PKM
SCHEMBL22038216 0.64 ALDH1A1 (0.44) KMT2AMAPTMEN1KDM4ECYP1A2
SCHEMBL21277795 0.64
SCHEMBL9181853 0.62 KMT2A (0.47) KMT2AMAPTMEN1CYP3A4KDM4E
SCHEMBL9183312 0.62 PDE3B (0.46) MAPTKDM4ENPC1
SCHEMBL9180106 0.62 ALDH1A3 (0.32)
SCHEMBL23750001 0.61 SMN1; SMN2 (0.35) KMT2AMAPTKDM4ELMNANPC1
SCHEMBL4764684 0.61 SHMT2 (0.39) KMT2AMAPTMEN1KDM4ECYP2D6
SCHEMBL9377708 0.61 KMT2A (0.39) KMT2AMAPTMEN1CYP3A4KDM4E

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
US-5444071-A Hypotensive agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-22 US disclosed
EP-0412848-B1 Quinoline derivatives, process for their preparation and their use as medicaments ICI PLC (GB) 1995-01-18 EP disclosed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 EP disclosed