SCHEMBL9258995

SCHEMBL9258995

COc1c(Br)cc(Br)c(OC)c1C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
HSD17B10 Q99714 2/20 0.47
TPMT P51580 1/20 0.46
TSHR P16473 1/20 0.44
APOBEC3A P31941 1/20 0.44
HTT P42858 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
PTPN1 P18031 2/20 0.42
POLB P06746 1/20 0.40
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TNFRSF1A P19438 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL9549964 0.89 TSHR (0.51) CA2HSD17B10TPMTTSHRAPOBEC3A
SCHEMBL9334983 0.81 HSD17B10 (0.58) CA2CA4HSD17B10TPMTTSHR
SCHEMBL4113651 0.79 CA2 (0.48) CA2CA4HSD17B10TPMTTSHR
SCHEMBL985767 0.79 TPMT (0.55) CA2CA4HSD17B10TPMTTSHR
SCHEMBL6602915 0.78 ALDH1A1 (0.46) HSD17B10MAPTHPGDPOLBALDH1A1
SCHEMBL11521097 0.77 TSHR (0.44) CA2TSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL31621493 0.77 PTPN1 (0.41) CA2HSD17B10TPMTTSHRPTPN1
SCHEMBL9335029 0.75 TPMT (0.54) CA2CA4HSD17B10TPMTTSHR
SCHEMBL985701 0.73 TSHR (0.70) TPMTTSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL4831712 0.73 ALDH1A1 (0.58) CA2CA4HSD17B10TPMTTSHR

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
US-5432173-A Psychological disorders ADIR ET COMPAGNIE (FR) 1995-07-11 US disclosed
US-5310739-A Antidepressant, antipsychotic, neuroleptic ADIR ET COMPAGNIE (FR) 1994-05-10 US disclosed