SCHEMBL9636615

SCHEMBL9636615

CC(=O)C1=Nc2ccccc2SC(C)C1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TDP1 Q9NUW8 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PKM P14618 1/20 0.40
BCHE P06276 11/20 0.33
ACHE P22303 4/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
MAPK1 P28482 3/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL9513943 0.73 MAPT (0.40) MAPTTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL9636693 0.71 MAPT (0.35) MAPTTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL20220705 0.68 NOS1 (0.43) MAPTTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL5670578 0.62 KDM4E (0.41) MAPTTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL24857876 0.62 MEN1 (0.35) MAPTTDP1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL9635262 0.61 MAPT (0.37) MAPTTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL9635260 0.61 MAPT (0.37) MAPTTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL10876774 0.60 MAPT (0.35) MAPTTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL9635267 0.60 MAPT (0.36) MAPTTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL9512599 0.59 RAB9A (0.40) MAPTTDP1SMN1; SMN2NPC1RAB9A

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-0368063-B1 PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS BAYER AG (DE) 1992-06-10 EP disclosed
US-4990707-A Process for the ring chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0368063-A1 Process for the chlorination in the nucleus of aromatic hydrocarbons BAYER AG (DE) 1990-05-16 EP disclosed