SCHEMBL7967178

SCHEMBL7967178

Cc1c(NC(=O)c2ccc(Br)cc2)cccc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
F10 P00742 1/20 0.51
NPSR1 Q6W5P4 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 4/20 0.47
MAPT P10636 3/20 0.47
USP2 O75604 2/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR55 Q9Y2T6 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL7967180 0.76 SMN1; SMN2 (0.49) SMN1; SMN2PLA2G1BATG4BNPSR1ALDH1A1
SCHEMBL7967171 0.75 KMT2A (0.54) KMT2A
SCHEMBL7956817 0.73 KEAP1 (0.47) SMN1; SMN2NPSR1ALDH1A1TSHRLMNA
SCHEMBL5260230 0.72 F10 (0.52) SMN1; SMN2F10USP2LMNAKMT2A
SCHEMBL9335263 0.71 MAPK1 (0.58) F10NPSR1ALDH1A1HPGDKDM4E
SCHEMBL13536500 0.70 RAB9A (0.59) SMN1; SMN2F10NPSR1ALDH1A1KDM4E
SCHEMBL7967175 0.70 ALDH1A1 (0.55) SMN1; SMN2NPSR1ALDH1A1LMNAKMT2A
SCHEMBL7956657 0.69 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1HPGDHSD17B10POLB
SCHEMBL5649212 0.69 MAPT (0.56) SMN1; SMN2KDM4EMAPTHSD17B10KMT2A
SCHEMBL27678416 0.69 RAB9A (0.61) SMN1; SMN2NPSR1ALDH1A1HPGDKDM4E

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-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed