SCHEMBL8853443

SCHEMBL8853443

[O-][S+]1CCC(=S)Nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HK1 P19367 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
GALK1 P51570 1/20 0.40
BLM P54132 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL89000 0.81 MEN1 (0.42) MEN1KMT2AKDM4ENPC1HSP90AA1
SCHEMBL10353387 0.79 NPC1 (0.47) NPC1MAPTALDH1A1
SCHEMBL9628930 0.72 MAPT (0.50) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL88860 0.69 MEN1 (0.34) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL13477741 0.67 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL88930 0.67 AHR (0.42) NPC1MAPTALDH1A1
SCHEMBL7347184 0.67 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL133072 0.66 TSHR (0.36)
SCHEMBL9630852 0.66 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL342511 0.65 GAA (0.40) MEN1KMT2AKDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657407-B1 Process for the preparation of 3-fluoro-4,6-dichlorotoluene BAYER AG (DE) 1997-12-10 EP disclosed
EP-0657407-A1 Process for the preparation of 3-fluoro-4,6-dichlorotoluene BAYER AG (DE) 1995-06-14 EP disclosed