SCHEMBL9549964

SCHEMBL9549964

COc1cc(Br)c(OC)c(C(=O)Cl)c1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
APOBEC3A P31941 1/20 0.51
HTT P42858 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
PTPN1 P18031 1/20 0.45
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
TNFRSF1A P19438 2/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 2/20 0.41
TPMT P51580 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9258995 0.89 CA2 (0.48) TSHRAPOBEC3AHTTAPOBEC3GPTPN1
SCHEMBL7827643 0.84 LCK (0.55) TSHRAPOBEC3AHTTAPOBEC3GPTPN1
SCHEMBL11521097 0.82 TSHR (0.44) TSHRAPOBEC3AHTTAPOBEC3GPTPN1
Hydrochloric Acid SCHEMBL9550013 0.81 TSHR (0.63) TSHRAPOBEC3AHTTAPOBEC3GPTPN1
SCHEMBL985701 0.79 TSHR (0.70) TSHRAPOBEC3AHTTAPOBEC3GPTPN1
SCHEMBL422456 0.79 ALDH1A1 (0.43) TSHRAPOBEC3AHTTAPOBEC3GPTPN1
SCHEMBL9549933 0.79 PTGS2 (0.46) CA1CA2ALDH1A1KMT2A
SCHEMBL23200924 0.77 TSHR (0.46) TSHRAPOBEC3AHTTAPOBEC3GPTPN1
SCHEMBL5997853 0.77 TSHR (0.46) TSHRAPOBEC3AHTTAPOBEC3GPTPN1
SCHEMBL5997847 0.76 TSHR (0.45) TSHRAPOBEC3AHTTAPOBEC3GPTPN1

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-5240957-A Dopaminergic agent ASTRA LAKEMEDEL AKTEIBOLAG (SE) 1993-08-31 US disclosed
EP-0156776-A1 Derivatives of N-(2-pyrrolidinylmethyl)-benzamide, process for their preparation, intermediates and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-10-02 EP disclosed