SCHEMBL9012172

SCHEMBL9012172

Cc1cccc(CSc2ncc[nH]2)c1NCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.35
POLB P06746 1/20 0.35
TXN P10599 1/20 0.35
TXNRD1 Q16881 1/20 0.35
HDAC1 Q13547 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
FDPS P14324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR1A P08908 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
METAP2 P50579 1/20 0.31

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
SCHEMBL9012434 0.85 SMN1; SMN2 (0.40) POLBTXNTXNRD1HDAC1ALDH1A1
SCHEMBL9012538 0.81 HDAC1 (0.42) TAAR1TXNTXNRD1HDAC1ALDH1A1
SCHEMBL9012326 0.81 TAAR1 (0.41) TAAR1TXNTXNRD1HDAC1ALDH1A1
SCHEMBL4765782 0.78 HPGD (0.51) ALDH1A1HPGDSMN1; SMN2GAAL3MBTL1
SCHEMBL9012295 0.76 TXN (0.35) TXNTXNRD1HDAC1HPGDFDPS
SCHEMBL9013435 0.74 TAAR1 (0.34) TAAR1HTR1A
SCHEMBL9012424 0.71 ADRA2A (0.42) FDPSSMN1; SMN2GAAL3MBTL1
SCHEMBL9012490 0.71 TSHR (0.39) TAAR1POLBTXNTXNRD1HDAC1
SCHEMBL9012190 0.71 HDAC1 (0.44) TXNTXNRD1HDAC1ALDH1A1HPGD
SCHEMBL9012305 0.71 HDAC1 (0.40) TXNTXNRD1HDAC1ALDH1A1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0354788-B1 Novel imidazole derivatives NIPPON CHEMIPHAR CO (JP) 1995-09-13 EP disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed
US-5180836-A Antiulcer agents NIPPON CHEMIPHAR CO., LTD. (JP) 1993-01-19 US disclosed
US-5082943-A Antiulcer NIPPON CHEMIPHAR CO., LTD. (JP) 1992-01-21 US disclosed
EP-0354788-A1 Novel imidazole derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1990-02-14 EP disclosed