SCHEMBL8946434

SCHEMBL8946434

CC(=O)N1c2ccc(N)cc2C2Cc3ccccc3C21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.44
CREBBP Q92793 1/20 0.43
NOTUM Q6P988 3/20 0.42
FSHR P23945 1/20 0.38
HSD11B1 P28845 3/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL8946692 0.83 HSD17B3 (0.39) HSD17B3CREBBPNOTUMFSHRALDH1A1
SCHEMBL8946697 0.83 HSD17B3 (0.39) HSD17B3CREBBPNOTUMFSHRALDH1A1
SCHEMBL8946705 0.83 HSD17B3 (0.39) HSD17B3CREBBPNOTUMFSHRALDH1A1
SCHEMBL8946587 0.82 KDM4E (0.49) CREBBPNOTUMALDH1A1MAPTSMN1; SMN2
SCHEMBL8946435 0.81 MAPT (0.47) CREBBPNOTUMALDH1A1LMNAMAPT
SCHEMBL8946786 0.80 CREBBP (0.40) CREBBPNOTUMALDH1A1LMNAMAPT
SCHEMBL21371548 0.69 NOTUM (0.40) HSD17B3CREBBPNOTUMALDH1A1LMNA
SCHEMBL15383120 0.69 NOTUM (0.40) HSD17B3CREBBPNOTUMALDH1A1LMNA
SCHEMBL7416927 0.67 NOTUM (0.62) HSD17B3NOTUMLMNAMAPTSMN1; SMN2
SCHEMBL5798751 0.67 NOTUM (0.62) HSD17B3NOTUMLMNAMAPTBRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed