SCHEMBL9168133

SCHEMBL9168133

N#Cc1sc2ccccc2c1-c1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.46
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HSP90AA1 P07900 2/20 0.36
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ PDE9A O76083 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ GPR3 P46089 1/20 0.33

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
SCHEMBL9173922 0.85 PTPN1 (0.43) PTPN1MEN1KMT2AALDH1A1TDP1
SCHEMBL9175954 0.78 ALDH1A1 (0.47) ALDH1A1L3MBTL1
SCHEMBL9168167 0.77 ALDH1A1 (0.38) PTPN1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL19436248 0.71 FFAR1 (0.47) MEN1KMT2A
SCHEMBL30143863 0.71 TSHR (0.52) PTPN1ALDH1A1TSHR
SCHEMBL18920818 0.71 TSHR (0.52) PTPN1ALDH1A1TSHR
SCHEMBL5793081 0.71 CYP11B2 (0.44) KMT2AALDH1A1CYP2A6
SCHEMBL2960529 0.69 PTPN1 (0.54) PTPN1L3MBTL1CYP2A6GPR3
SCHEMBL11085972 0.69 MAPT (0.47) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL18920822 0.68 TSHR (0.54) ALDH1A1PDCD1CD274TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 — — EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 — — US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 — — WO disclosed
Send feedback