SCHEMBL9012434

SCHEMBL9012434

COc1cccc(CSc2ncc[nH]2)c1NCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FDPS P14324 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CTSB P07858 1/20 0.33
METAP2 P50579 3/20 0.33
TXN P10599 1/20 0.33
TXNRD1 Q16881 1/20 0.33
HDAC1 Q13547 1/20 0.32
ALPL P05186 1/20 0.32
GAA P10253 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
SCHEMBL9012172 0.85 TAAR1 (0.35) SMN1; SMN2ALDH1A1HPGDMAPK1FDPS
SCHEMBL9012490 0.82 TSHR (0.39) SMN1; SMN2ALDH1A1MAPTHPGDTSHR
SCHEMBL9012538 0.79 HDAC1 (0.42) SMN1; SMN2ALDH1A1HPGDTSHRCASP1
SCHEMBL9012236 0.76 ADRA1A (0.35) GAAADRA2AADRA1A
SCHEMBL9012424 0.76 ADRA2A (0.42) SMN1; SMN2MAPTFDPSGAAADRA2A
SCHEMBL9012326 0.71 TAAR1 (0.41) ALDH1A1KMT2AFDPSLMNATXN
SCHEMBL9012295 0.71 TXN (0.35) SMN1; SMN2MEN1MAPTHPGDKMT2A
SCHEMBL9012190 0.69 HDAC1 (0.44) SMN1; SMN2ALDH1A1HPGDTSHRCASP1
SCHEMBL9361359 0.68 HDAC1 (0.40) SMN1; SMN2MEN1ALDH1A1HPGDMAPK1
SCHEMBL9012305 0.68 HDAC1 (0.40) SMN1; SMN2ALDH1A1HPGDKMT2AHSD17B10

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