SCHEMBL9525428

SCHEMBL9525428

CCNC(C)N(C(=O)c1sc(C)c(C)c1OC)C(C)NCC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 9/20 0.32
HPGD P15428 6/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL9366088 0.85 KDM4E (0.31) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL9526560 0.85 ALDH1A1 (0.33) KDM4EALDH1A1HPGDTP53L3MBTL1
Dimethylamine SCHEMBL9526570 0.70 CHRM4 (0.44) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL9365819 0.69 GAA (0.32)
SCHEMBL9368107 0.69 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTP53MAPT
Diethylamine SCHEMBL9525434 0.69 CHRM4 (0.41) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL9367169 0.67 ALDH1A1 (0.40) KDM4EALDH1A1HPGDTP53L3MBTL1
SCHEMBL3055938 0.66 ALDH1A1 (0.33) KDM4EALDH1A1HPGDTP53L3MBTL1
SCHEMBL9526562 0.64 CYP2D6 (0.45) KDM4EALDH1A1MAPTKMT2ANPSR1
SCHEMBL9365797 0.62 CISD2 (0.31) KDM4EALDH1A1L3MBTL1

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
EP-0297697-B1 Thiophene-2-carboxamide derivatives and their pharmaceutical use LILLY SA (ES) 1993-12-29 EP disclosed
US-4904686-A 3-ALKOXYTHIOPHENE-2-CARBOXAMIDES; CENTRAL NERVOUS SYSTEM DISORDERS LILLY INDUSTRIES LIMITED (GB) 1990-02-27 US disclosed