SCHEMBL6974210

SCHEMBL6974210

CCn1c(CN(C)C)nc(C(C)C)c1Sc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.34
GCGR P47871 1/20 0.33
SLC6A9 P48067 5/20 0.33
HAO1 Q9UJM8 1/20 0.32
DHFR P00374 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NOTUM Q6P988 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 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
SCHEMBL7084725 0.89 ALDH1A1 (0.31) ALDH1A1LMNAMAPT
SCHEMBL6963544 0.87 POLB (0.45) SLC6A9DHFRKMT2AMAOAMAOB
SCHEMBL6974959 0.86 MAOA (0.36) SLC6A9HAO1MAOAMAOBALDH1A1
SCHEMBL6974771 0.86 DHODH (0.43) DHODHGCGRSLC6A9HAO1DHFR
SCHEMBL7086664 0.86 DHODH (0.35) DHODHGCGRSLC6A9HAO1DHFR
SCHEMBL7084256 0.86 SMN1; SMN2 (0.35) ALDH1A1LMNAMAPTSLC6A2SLC6A4
SCHEMBL7082989 0.86 GRIN1 (0.35) SLC6A9KMT2AATMLMNAPOLB
SCHEMBL6964947 0.84 DHODH (0.34) DHODHGCGRHAO1DHFRKMT2A
SCHEMBL6973489 0.84 GCGR (0.38) DHODHGCGRSLC6A9HAO1DHFR
SCHEMBL7086943 0.84 TAAR1 (0.34) DHODHGCGRHAO1DHFRKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed