SCHEMBL9778786

SCHEMBL9778786

Clc1cccc(Cl)c1COc1ccc(C2SCCS2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
OPRD1 P41143 2/20 0.38
ITGA4 P13612 7/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL9778526 0.94 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL9778730 0.85 NR4A2 (0.52) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL9778788 0.81 ALDH1A1 (0.45) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL9778795 0.79 NR4A2 (0.50) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL9778706 0.78 MAOB (0.58) MAOB
SCHEMBL9778802 0.77 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL9778824 0.77 MAOB (0.54) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL9778858 0.77 NR4A2 (0.55) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL9778622 0.76 MAOB (0.59) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL9778680 0.75 MAOB (0.51) MAPTLMNAKMT2AMEN1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed