SCHEMBL8853387

SCHEMBL8853387

CCCC1CC(=O)Nc2ccccc2S1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.61
CREBBP Q92793 7/20 0.61
HSD17B10 Q99714 4/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPK1 P28482 2/20 0.51
TP53 P04637 2/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.43
EP300 Q09472 1/20 0.43
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL9287395 0.90 BRD4 (0.57) BRD4CREBBPHSD17B10ALDH1A1TSHR
SCHEMBL8853215 0.89 BRD4 (0.56) BRD4CREBBPHSD17B10ALDH1A1TSHR
SCHEMBL8853794 0.88 BRD4 (0.65) BRD4CREBBPHSD17B10ALDH1A1TSHR
SCHEMBL9628743 0.86 BRD4 (0.51) BRD4CREBBPHSD17B10ALDH1A1TSHR
SCHEMBL30583054 0.78 HSD17B10 (0.59) BRD4CREBBPHSD17B10ALDH1A1TSHR
SCHEMBL9629704 0.77 BRD4 (0.55) BRD4CREBBPHSD17B10ALDH1A1TSHR
SCHEMBL9629592 0.77 BRD4 (0.54) BRD4CREBBPHSD17B10ALDH1A1TSHR
SCHEMBL8853797 0.76 CREBBP (1.00) BRD4CREBBPHSD17B10ALDH1A1TSHR
SCHEMBL9629696 0.74 CREBBP (0.71) BRD4CREBBPHSD17B10ALDH1A1TSHR
SCHEMBL5671154 0.74 HSD17B10 (0.61) HSD17B10ALDH1A1TSHRSMN1; SMN2MAPK1

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
JP-60032778-A None JP disclosed
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
US-5105036-A Friedel-Crafts catalyst and oxy-substituted cyclic amidines as cocatylsts; preferential formation of p-isomer BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 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-0292824-A1 Process for the nuclear chlorination of aromatic hydrocarbons BAYER AG (DE) 1988-11-30 EP disclosed
JP-S6032778-A 1,5-BENZOTHIAZEPINE DERIVATIVE, ITS PREPARATION, AND CONTROLLER FOR PLANT BLIGHT COMPRISING IT AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 1985-02-19 JP disclosed