SCHEMBL9012490

SCHEMBL9012490

COc1cccc(NCC(C)C)c1CSc1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC1 Q13547 1/20 0.36
FDPS P14324 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADRA1A P35348 4/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1B P35368 3/20 0.33
HTR1A P08908 2/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MPO P05164 1/20 0.33
TXN P10599 1/20 0.33
TXNRD1 Q16881 1/20 0.33
MAPT P10636 3/20 0.32
ROCK2 O75116 1/20 0.32
GRK2 P25098 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL9012326 0.85 TAAR1 (0.41) HDAC1FDPSALDH1A1TXNTXNRD1
SCHEMBL9012434 0.82 SMN1; SMN2 (0.40) TSHRCASP1HSD17B10HDAC1FDPS
SCHEMBL9012538 0.79 HDAC1 (0.42) TSHRCASP1HSD17B10HDAC1FDPS
SCHEMBL9012474 0.77 ADRA1A (0.35) TSHRCASP1HSD17B10ALDH1A1ADRA1A
SCHEMBL9012424 0.76 ADRA2A (0.42) FDPSADRA1AADRA1DADRA1BSMN1; SMN2
SCHEMBL9360886 0.72 TAAR1 (0.39) TSHRHSD17B10HDAC1FDPSALDH1A1
SCHEMBL9012295 0.71 TXN (0.35) TSHRHDAC1FDPSSMN1; SMN2TXN
SCHEMBL9012172 0.71 TAAR1 (0.35) HDAC1FDPSALDH1A1HTR1APOLB
SCHEMBL9012305 0.68 HDAC1 (0.40) HSD17B10HDAC1FDPSALDH1A1SMN1; SMN2
SCHEMBL9011898 0.68 NPC1 (0.34) HDAC1MPOTXNTXNRD1

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