SCHEMBL9025837

SCHEMBL9025837

Cc1ccnc(-c2cccc(Cc3ccc(Cl)cc3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.43
FFAR1 O14842 2/20 0.40
MAPK1 P28482 2/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSP90AB1 P08238 1/20 0.36
GPR39 O43194 2/20 0.35
DYRK1A Q13627 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
PTGER1 P34995 2/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL9586353 0.88 GRM5 (0.42) GRM5FFAR1MAPK1GPR39DYRK1A
SCHEMBL9500899 0.87 BRD4 (0.41) GRM5FFAR1RAB9ASMN1; SMN2
SCHEMBL9027236 0.86 FFAR1 (0.40) GRM5FFAR1MAPK1RAB9AKMT2A
SCHEMBL9024906 0.83 GRM5 (0.44) GRM5FFAR1KMT2ASMN1; SMN2TDP1
SCHEMBL9025927 0.80 GRM5 (0.38) GRM5FFAR1TSHR
SCHEMBL9550832 0.76 CCR1 (0.43) GRM5FFAR1RAB9ASMN1; SMN2KDM4E
SCHEMBL9026730 0.76 ROCK1 (0.43) GRM5RAB9A
SCHEMBL10368628 0.76 GRM5 (0.39) GRM5FFAR1KDM4ETSHR
SCHEMBL9026091 0.75 FFAR1 (0.44) GRM5FFAR1MAPK1KMT2ATDP1
SCHEMBL9586361 0.75 GRM5 (0.42) GRM5FFAR1MAPK1KMT2ATSHR

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-0459662-B1 Fungicidal compounds ZENECA LTD (GB) 1996-08-21 EP disclosed
US-5185339-A FUNGICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-09 US disclosed
EP-0459662-A1 Fungicidal compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed