SCHEMBL8853758

SCHEMBL8853758

Cc1cc2c(cc1C)SCCC(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
TP53 P04637 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KMT2A Q03164 4/20 0.49
EPHX2 P34913 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL9628745 0.89 KMT2A (0.46) LMNATP53HDAC1HDAC8HDAC6
SCHEMBL14433978 0.81 EPHX2 (0.62) LMNAKMT2AEPHX2MEN1RAB9A
SCHEMBL5638460 0.81 KMT2A (0.62) LMNATP53HDAC1HDAC8HDAC6
SCHEMBL8853748 0.79 EPHX2 (0.70) LMNATP53HDAC1HDAC8HDAC6
SCHEMBL8853550 0.74 HDAC1 (0.57) LMNATP53HDAC1HDAC8HDAC6
SCHEMBL8853783 0.74 TP53 (0.49) LMNATP53HDAC1HDAC8HDAC6
SCHEMBL8853477 0.74 TP53 (0.49) LMNATP53HDAC1HDAC8HDAC6
SCHEMBL5507140 0.74 HDAC1 (0.57) LMNATP53HDAC1HDAC8HDAC6
SCHEMBL8853694 0.74 MAOA (0.57) LMNATP53HDAC1HDAC8HDAC6
SCHEMBL1756087 0.72 HDAC1 (0.51) LMNATP53HDAC1HDAC8HDAC6

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 8 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
US-5475164-A Process for preparing 3-fluoro-4,6-dichlorotoluene BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
EP-0657407-A1 Process for the preparation of 3-fluoro-4,6-dichlorotoluene BAYER AG (DE) 1995-06-14 EP disclosed
EP-0324181-B1 PROCESS FOR THE PREPARATION OF BENZOTHIAZEPINONE DERIVATIVES BAYER AG (DE) 1991-11-27 EP disclosed
US-4948886-A Process for the preparation of benzothiazepinone derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-08-14 US disclosed
EP-0292824-B1 PROCESS FOR THE NUCLEAR CHLORINATION OF AROMATIC HYDROCARBONS BAYER AG (DE) 1990-08-01 EP disclosed
US-4851596-A Process for nucleus-chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0324181-A1 Process for the preparation of benzothiazepinone derivatives BAYER AG (DE) 1989-07-19 EP disclosed