SCHEMBL9024906

SCHEMBL9024906

Cc1ccnc(-c2cccc(Cc3ccccc3Cl)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.44
FFAR1 O14842 3/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PTGER1 P34995 2/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR39 O43194 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
PPP1CA P62136 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADCY10 Q96PN6 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
SCHEMBL9025927 0.86 GRM5 (0.38) GRM5FFAR1CYP1A2CYP3A4CYP2C19
SCHEMBL9025837 0.83 GRM5 (0.43) GRM5FFAR1PTGER1KMT2ASMN1; SMN2
SCHEMBL9026091 0.82 FFAR1 (0.44) GRM5FFAR1KMT2AALDH1A1CYP1A2
SCHEMBL9500899 0.81 BRD4 (0.41) GRM5FFAR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL9846059 0.80 ADORA2A (0.46) GRM5ADORA2AADORA1PTGER1KMT2A
SCHEMBL3787471 0.76 CYP1A2 (0.37) PTGER1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL9586353 0.76 GRM5 (0.42) GRM5FFAR1GPR39
SCHEMBL9369946 0.76 GRM5 (0.46) GRM5FFAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL9027236 0.75 FFAR1 (0.40) GRM5FFAR1KMT2ANPC1LMNA
SCHEMBL10368628 0.75 GRM5 (0.39) GRM5FFAR1ALDH1A1CYP3A4LMNA

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