SCHEMBL8800929

SCHEMBL8800929

CC(c1cccs1)C(Cc1ccccc1)N1CN(C(Cc2ccccc2)C(C)c2cccs2)CN(C(Cc2ccccc2)C(C)c2cccs2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL8801053 0.81 TDP1 (0.38) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8801211 0.75 TRPA1 (0.46) TSHRKMT2AMEN1HPGDNPC1
SCHEMBL8801566 0.75 SLC6A2 (0.48) TSHRHPGDMAOASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8800673 0.74 SLC6A2 (0.47) TSHRHPGDMAOASLC6A2SLC6A4
SCHEMBL8800678 0.73 TSHR (0.42) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8802018 0.71 LMNA (0.38) TSHRALDH1A1KMT2AMEN1HTT
SCHEMBL3615431 0.70 GAA (0.41) TSHRALDH1A1KMT2AHTTLMNA
SCHEMBL7362430 0.69 TAAR1 (0.40) HPGDLMNAMAOASLC6A2SLC6A4
SCHEMBL9366025 0.69 TSHR (0.62) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8800512 0.69 HPGD (0.36) TSHRALDH1A1KMT2AMEN1SMN1; SMN2

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