SCHEMBL4624447

SCHEMBL4624447

COC(=O)C1(Cl)C=Nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 6/20 0.36
ALDH1A1 P00352 4/20 0.36
ITGA4 P13612 1/20 0.36
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 2/20 0.33
TRPA1 O75762 6/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TACR1 P25103 1/20 0.31
TACR3 P29371 1/20 0.31

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
SCHEMBL4622560 0.80 THRB (0.37) TRPA1LMNA
SCHEMBL7779341 0.76 KMT2A (0.36) MEN1KMT2AMAPTALDH1A1ITGA4
SCHEMBL4625185 0.75 MAPT (0.34) KMT2AMAPTALDH1A1ITGA4KDM4E
SCHEMBL9672587 0.68 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1ITGA4
Hydrochloric Acid SCHEMBL27684552 0.67 PDE7A (0.31) MAPTALDH1A1ITGA4TRPA1
SCHEMBL18663376 0.67 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1ITGA4
SCHEMBL29236651 0.67
SCHEMBL24495475 0.66 TDP1 (0.37) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3172331 0.66 ALDH1A1 (0.33) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL28472018 0.66 HTT (0.34) KMT2AMAPTALDH1A1ITGA4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097135-B1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2008-05-07 EP claimed
EP-1097135-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2001-05-09 EP claimed
WO-2000003983-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2000-01-27 WO claimed
EP-1097135-B1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2008-05-07 EP disclosed
EP-1097135-B1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2008-05-07 EP disclosed
EP-1097135-B1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2008-05-07 EP disclosed
JP-2006176539-A METHOD FOR PRODUCING INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC 2006-07-06 JP disclosed
EP-1097135-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2001-05-09 EP disclosed
EP-1097135-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2001-05-09 EP disclosed
WO-2000003983-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2000-01-27 WO disclosed
WO-2000003983-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2000-01-27 WO disclosed