SCHEMBL9724329

SCHEMBL9724329

Cc1cc(F)c2nc(C)cc(Cl)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CRHR1 P34998 3/20 0.41
NR4A2 P43354 3/20 0.39
GPR35 Q9HC97 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
PTGES O14684 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL7431819 0.85 MAPT (0.46) LMNAMAPTL3MBTL1CRHR1NR4A2
SCHEMBL19554458 0.85 GPR35 (0.39) LMNAMAPTL3MBTL1GPR35PTGES
SCHEMBL17502194 0.82 LMNA (0.52) LMNAMAPTL3MBTL1CRHR1NR4A2
SCHEMBL30075028 0.81 MAPT (0.44) LMNAMAPTL3MBTL1CRHR1NR4A2
SCHEMBL28639349 0.81 MAPT (0.44) LMNAMAPTL3MBTL1CRHR1NR4A2
SCHEMBL17539136 0.79 LMNA (0.49) LMNAMAPTL3MBTL1CRHR1NR4A2
SCHEMBL3051550 0.78 MAPT (0.60) LMNAMAPTL3MBTL1CRHR1NR4A2
SCHEMBL9724286 0.76 MAPT (0.40) LMNAMAPTL3MBTL1CRHR1NR4A2
SCHEMBL20680298 0.76 CD38 (0.53) LMNAPOLB
SCHEMBL17539137 0.76 MAPT (0.45) LMNAMAPTL3MBTL1CRHR1NR4A2

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
US-5112837-A Inhibitors of thymidylate synthetase enzyme IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-12 US disclosed
EP-0318225-A2 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed