SCHEMBL8800512

SCHEMBL8800512

CC(c1cccs1)C(Cc1ccccc1)N=C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A2 P23975 3/20 0.34
TAAR1 Q96RJ0 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MAOA P21397 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP2C19 P33261 2/20 0.33
ADRA2B P18089 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
SCHEMBL8283136 0.77 TRPA1 (0.44) HPGDTSHRMEN1KMT2ASLC6A2
SCHEMBL8801566 0.73 SLC6A2 (0.48) HPGDTSHRSLC6A2TAAR1SLC6A4
SCHEMBL8801211 0.73 TRPA1 (0.46) HPGDTSHRMEN1KMT2ASLC6A2
SCHEMBL10693656 0.72 ALOX5 (0.41) HPGDTSHRLMNAL3MBTL1MEN1
Hydrochloric Acid SCHEMBL8800673 0.72 SLC6A2 (0.47) HPGDTSHRSLC6A2TAAR1SLC6A4
SCHEMBL8800678 0.71 TSHR (0.42) HPGDTSHRLMNAMEN1KMT2A
SCHEMBL8801053 0.70 TDP1 (0.38) HPGDTSHRLMNAL3MBTL1MEN1
Hydrochloric Acid SCHEMBL22372374 0.70 CTSD (0.36) HPGDTSHRCTSLMEN1KMT2A
SCHEMBL21056125 0.70 SLC6A2 (0.48) HPGDTSHRMEN1KMT2ASLC6A2
SCHEMBL27515553 0.70 SLC6A2 (0.48) HPGDTSHRMEN1KMT2ASLC6A2

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-0522956-B1 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI SA (FR) 1997-02-05 EP disclosed
EP-0522956-A2 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI (FR) 1993-01-13 EP disclosed