SCHEMBL9012326

SCHEMBL9012326

Cc1cccc(NCC(C)C)c1CSc1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
HDAC1 Q13547 1/20 0.38
TXN P10599 1/20 0.35
TXNRD1 Q16881 1/20 0.35
FDPS P14324 1/20 0.33
BRD4 O60885 1/20 0.33
KDM6B O15054 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL9012490 0.85 TSHR (0.39) TAAR1HDAC1TXNTXNRD1FDPS
SCHEMBL9012538 0.81 HDAC1 (0.42) TAAR1HDAC1TXNTXNRD1FDPS
SCHEMBL9360886 0.81 TAAR1 (0.39) TAAR1HDAC1FDPSBRD4CYP1A2
SCHEMBL9012172 0.81 TAAR1 (0.35) TAAR1HDAC1TXNTXNRD1FDPS
SCHEMBL9012295 0.76 TXN (0.35) HDAC1TXNTXNRD1FDPSKDM6B
SCHEMBL9011963 0.74 TAAR1 (0.39) TAAR1BRD4CYP1A2CYP3A4CYP2C9
SCHEMBL9012424 0.71 ADRA2A (0.42) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9012434 0.71 SMN1; SMN2 (0.40) HDAC1TXNTXNRD1FDPSLMNA
SCHEMBL9012305 0.71 HDAC1 (0.40) HDAC1TXNTXNRD1FDPSALDH1A1
SCHEMBL4765782 0.69 HPGD (0.51) CYP1A2CYP3A4CYP2C9CYP2C19LMNA

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