SCHEMBL9168167

SCHEMBL9168167

N#Cc1sc2ccccc2c1-c1ccc(C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ PTPN1 P18031 5/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP2A6 P11509 2/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL9175954 0.78 ALDH1A1 (0.47) ALDH1A1L3MBTL1NPSR1
SCHEMBL9168133 0.77 PTPN1 (0.46) ALDH1A1PTPN1L3MBTL1MEN1KMT2A
SCHEMBL9173922 0.77 PTPN1 (0.43) ALDH1A1PTPN1L3MBTL1MEN1KMT2A
SCHEMBL4547729 0.71 ALDH1A1 (0.52) ALDH1A1BRD4CYP2A6KIF11
SCHEMBL5793081 0.71 CYP11B2 (0.44) ALDH1A1KMT2ACYP2A6
SCHEMBL15391081 0.70 L3MBTL1 (0.50) ALDH1A1PTPN1L3MBTL1MEN1KMT2A
SCHEMBL17011033 0.70 L3MBTL1 (0.50) ALDH1A1PTPN1L3MBTL1MEN1KMT2A
SCHEMBL16381821 0.68 ALDH1A1 (0.54) ALDH1A1BRD4MEN1KMT2ACYP2A6
SCHEMBL5793083 0.68 MIF (0.48) ALDH1A1L3MBTL1MEN1KMT2AHSP90AA1
SCHEMBL9176674 0.68 TNKS (0.40) ALDH1A1PTPN1BRD4CYP2A6EGFR

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