SCHEMBL8853752

SCHEMBL8853752

CC1Sc2ccccc2NC(=O)C1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.54
BRD4 O60885 1/20 0.54
HSD17B10 Q99714 5/20 0.54
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
USP2 O75604 1/20 0.54
ESR1 P03372 1/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
PTPN7 P35236 1/20 0.54
RECQL P46063 1/20 0.54
ESR2 Q92731 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL24125191 0.81 CREBBP (0.57) CREBBPBRD4HSD17B10KDM4ETDP1
SCHEMBL2745305 0.81 CREBBP (0.57) CREBBPBRD4HSD17B10KDM4ETDP1
SCHEMBL4969852 0.75 MAPT (0.51) CREBBPBRD4HSD17B10KDM4ETDP1
SCHEMBL9629696 0.75 CREBBP (0.71) CREBBPBRD4HSD17B10KDM4ETDP1
SCHEMBL9629427 0.75 CREBBP (0.62) CREBBPBRD4HSD17B10KDM4ETDP1
SCHEMBL11034753 0.74 HSD17B10 (0.61) CREBBPBRD4HSD17B10KDM4ETDP1
SCHEMBL31542005 0.74 HSD17B10 (0.53) CREBBPBRD4HSD17B10KDM4ETDP1
SCHEMBL28768922 0.74 HSD17B10 (0.53) CREBBPBRD4HSD17B10KDM4ETDP1
SCHEMBL9024189 0.74 HSD17B10 (0.53) CREBBPBRD4HSD17B10KDM4ETDP1
SCHEMBL4325934 0.74 HSD17B10 (0.53) CREBBPBRD4HSD17B10KDM4ETDP1

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 9 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
EP-0292824-A1 Process for the nuclear chlorination of aromatic hydrocarbons BAYER AG (DE) 1988-11-30 EP disclosed