SCHEMBL9012295

SCHEMBL9012295

Cc1ccc(CSc2ncc[nH]2)c(NCC(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 0.35
TXNRD1 Q16881 1/20 0.35
HDAC1 Q13547 1/20 0.34
FDPS P14324 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
ITK Q08881 1/20 0.31
RAPGEF4 Q8WZA2 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
SCHEMBL9012538 0.84 HDAC1 (0.42) TXNTXNRD1HDAC1FDPSKDM6B
SCHEMBL9012424 0.78 ADRA2A (0.42) FDPSMAPTCYP1A2CYP2E1CYP3A4
SCHEMBL9012172 0.76 TAAR1 (0.35) TXNTXNRD1HDAC1FDPSGAA
SCHEMBL9012326 0.76 TAAR1 (0.41) TXNTXNRD1HDAC1FDPSKMT2A
SCHEMBL9011981 0.76 RIPK1 (0.45) MEN1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL9011898 0.75 NPC1 (0.34) TXNTXNRD1HDAC1NPC1RAB9A
SCHEMBL9011960 0.74 ITK (0.30) ITK
SCHEMBL9012305 0.73 HDAC1 (0.40) TXNTXNRD1HDAC1FDPSKMT2A
SCHEMBL9365685 0.72 ADRA1D (0.35) HDAC1FDPSMEN1KMT2ACYP1A2
SCHEMBL9012490 0.71 TSHR (0.39) TXNTXNRD1HDAC1FDPSMAPT

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