SCHEMBL7777436

SCHEMBL7777436

BrCC1(C(Br)Br)C=Cc2ccccc2C1c1cccc2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A4 P31645 4/20 0.32
DRD2 P14416 1/20 0.32
IDO1 P14902 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP2 O95551 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30

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
SCHEMBL4480218 0.81 SLC6A4 (0.36) KDM1AALDH1A1SLC6A4DRD2IDO1
SCHEMBL10476854 0.76 KDM1A (0.38) KDM1AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2155195 0.75 KDM1A (0.43) KDM1AALDH1A1SLC6A4DRD2IDO1
SCHEMBL11614041 0.73 KDM1A (0.38) KDM1AALDH1A1CYP1A2SLC6A4DRD2
SCHEMBL7775994 0.73 KDM1A (0.38) KDM1AALDH1A1SLC6A4DRD2IDO1
SCHEMBL5248281 0.73 KDM1A (0.38) KDM1AALDH1A1CYP1A2SLC6A4DRD2
SCHEMBL8506986 0.72 SLC6A4 (0.36) KDM1AALDH1A1CYP1A2SLC6A4DRD2
SCHEMBL7999943 0.71 KDM1A (0.39) KDM1AALDH1A1CYP1A2SLC6A4DRD2
SCHEMBL20597643 0.70 HSD11B1 (0.37) KDM1AALDH1A1SLC6A4DRD2IDO1
SCHEMBL14931728 0.70 IDO1 (0.36) KDM1AALDH1A1SLC6A4DRD2IDO1

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
EP-0673944-B1 Process for preparing 2,2'-bis(diphenyl-phosphinylmethyl)-1,1'binaphtyl and novel compounds belonging to this group of substances CELANESE CHEM EUROPE GMBH (DE) 2001-08-16 EP disclosed
US-5767317-A Process for preparing 2,2'-bis(diphenylphosphinylmethyl)-1,1'-binaphthyls and new compounds from this class of substances HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
EP-0673944-A1 Process for preparing 2,2'-bis(diphenyl-phosphinylmethyl)-1,1'binaphtyl and novel compounds belonging to this group of substances HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed