SCHEMBL9011939

SCHEMBL9011939

CCNc1ccccc1CSc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
AR P10275 1/20 0.38
FDPS P14324 1/20 0.38
TXN P10599 1/20 0.36
TXNRD1 Q16881 1/20 0.36
ADRA2C P18825 2/20 0.36
ADRA2B P18089 1/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
HTR1A P08908 1/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL9012067 0.86 HDAC1 (0.46) HDAC1ARFDPSTXNTXNRD1
SCHEMBL9012538 0.85 HDAC1 (0.42) HDAC1FDPSTXNTXNRD1ADRA2C
SCHEMBL9365717 0.84 HDAC1 (0.40) HDAC1TXNTXNRD1HSD17B10TSHR
SCHEMBL9011958 0.84 HDAC1 (0.46) HDAC1ADRA2CHSD17B10TSHRTAAR1
SCHEMBL9011970 0.83 HDAC1 (0.41) HDAC1FDPSADRA2CHSD17B10TSHR
SCHEMBL9362106 0.83 HDAC1 (0.43) HDAC1FDPSHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9012190 0.82 HDAC1 (0.44) HDAC1FDPSTXNTXNRD1ADRA2C
SCHEMBL9361359 0.81 HDAC1 (0.40) HDAC1FDPSTXNTXNRD1HSD17B10
SCHEMBL9361383 0.81 HDAC1 (0.42) HDAC1HSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL9012305 0.81 HDAC1 (0.40) HDAC1FDPSTXNTXNRD1HSD17B10

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 3 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-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed
EP-0584588-A1 Anti-ulcer composition containing imidazole derivative NIPPON CHEMIPHAR CO., LTD. (JP) 1994-03-02 EP disclosed