SCHEMBL8949640

SCHEMBL8949640

O=C1c2ccc(Cl)cc2Cc2ccc3cc(Cl)ccc3c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.53
S100A4 P26447 2/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CXCL12 P48061 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
ACHE P22303 1/20 0.36
ITGA1 P56199 1/20 0.36
AHR P35869 2/20 0.36
CMA1 P23946 1/20 0.36
HSP90AA1 P07900 2/20 0.35
TYMS P04818 2/20 0.35
PGR P06401 1/20 0.35
TDP2 O95551 1/20 0.35
VHL P40337 1/20 0.34
ELOC Q15369 1/20 0.34
ELOB Q15370 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
SCHEMBL1984980 0.90 MAOA (0.47) METAP1S100A4MAOAMAOBACHE
SCHEMBL11661562 0.88 METAP1 (0.50) METAP1S100A4MAOAMAOBCA1
SCHEMBL11661126 0.81 L3MBTL1 (0.39) METAP1ITGA1AHRCMA1TYMS
SCHEMBL10691369 0.79 METAP1 (0.71) METAP1S100A4MAOAMAOBCXCL12
SCHEMBL1983618 0.78 METAP1 (0.53) METAP1S100A4MAOAMAOBCA1
SCHEMBL6906371 0.76 METAP1 (0.54) METAP1S100A4MAOAMAOBCXCL12
SCHEMBL8157130 0.75 SRD5A2 (0.51) TDP2
SCHEMBL6905130 0.74 METAP1 (0.65) METAP1S100A4MAOAMAOBCXCL12
SCHEMBL11657376 0.74 S100A4 (0.53) S100A4MAOAMAOBITGA1HSP90AA1
SCHEMBL19152708 0.74 CA1 (0.48) METAP1CA1CA2CA4CA6

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-5525743-A Preparation of anthraquinone imide compounds BASF AKTIENGESELLSCHAFT (DE) 1996-06-11 US disclosed
EP-0649833-B1 Process for the preparation of anthraquinonamine compounds BASF AG (DE) 1996-02-28 EP disclosed
EP-0649833-A1 Process for the preparation of anthraquinonamine compounds BASF Aktiengesellschaft (DE) 1995-04-26 EP disclosed
US-4083725-A CINNAMIC ACID PHOTOSENSITIVE RESIN AND A HALOGEN SUBSTITUTED BENZANTHRONE SENSITIZER MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-04-11 US disclosed