SCHEMBL985501

SCHEMBL985501

COc1cc(Br)cc(C(=O)Cl)c1OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.55
CNR2 P34972 1/20 0.55
HSD17B10 Q99714 1/20 0.50
PTPN1 P18031 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
DRD3 P35462 2/20 0.44
TSHR P16473 1/20 0.44
APOBEC3A P31941 1/20 0.44
HTT P42858 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
DRD4 P21917 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCB1 P08183 1/20 0.42

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
SCHEMBL30745046 0.84 HSD17B10 (0.71) FAAHCNR2HSD17B10PTPN1ALOX15
SCHEMBL1189451 0.84 FAAH (0.52) FAAHCNR2HSD17B10PTPN1ALOX15
SCHEMBL1188761 0.84 HSD17B10 (0.71) FAAHCNR2HSD17B10PTPN1ALOX15
SCHEMBL23294024 0.82 KDM4E (0.56) FAAHCNR2HSD17B10PTPN1ALOX15
SCHEMBL27409599 0.82 HTT (0.56) FAAHCNR2HSD17B10PTPN1ALOX15
SCHEMBL14126484 0.82 HSD17B10 (0.42) FAAHCNR2HSD17B10PTPN1ALOX15
SCHEMBL987157 0.80 TUBB4A (0.45) HTTSMN1; SMN2
SCHEMBL11179253 0.80 KDM4E (0.54) PTPN1LMNA
SCHEMBL15233646 0.79 KDM4E (0.51) HSD17B10PTPN1HTTSMN1; SMN2
SCHEMBL6270454 0.79 FAAH (0.59) FAAHCNR2HSD17B10DRD3DRD4

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-7875631-B2 e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed ANALYTECON S.A. (CH) 2011-01-25 US disclosed
EP-0207913-B1 CATECHOL CARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION Astra Läkemedel Aktiebolag (SE) 1990-10-31 EP disclosed
EP-0207913-A1 Catechol carboxamides, process for their preparation, intermediates and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1987-01-07 EP disclosed
WO-1986007591-A1 CATECHOLCARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION Astra Läkemedel Aktiebolag (SE) 1986-12-31 WO disclosed