SCHEMBL9486405

SCHEMBL9486405

Cc1sc(N)c(C#N)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM6 O15303 1/20 0.41
HSD17B10 Q99714 4/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ADORA2A P29274 1/20 0.37
BPTF Q12830 3/20 0.37
GAA P10253 3/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 2/20 0.35
PABPC1 P11940 1/20 0.35
CASP1 P29466 1/20 0.35
KRAS P01116 2/20 0.35
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL641581 0.77 GRM6 (0.52) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL10308584 0.77 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL9487470 0.74 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL1720717 0.71 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL11064868 0.70 BPTF (0.48) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL10288390 0.68 BPTF (0.39) ALDH1A1MAPTMEN1KMT2AGRM6
SCHEMBL21605471 0.68 L3MBTL1 (0.57) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL623186 0.67 GRM6 (0.50) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL27002486 0.66 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL1798608 0.66 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ANPSR1

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
US-5206375-A Thiophene derivatives BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
EP-0193885-B1 THIOPHENE DERIVATIVES BASF Aktiengesellschaft (DE) 1989-06-14 EP disclosed
EP-0193885-A1 Thiophene derivatives BASF Aktiengesellschaft (DE) 1986-09-10 EP disclosed