SCHEMBL6972918

SCHEMBL6972918

CCn1c(C=O)nc(Sc2cccc(F)c2)c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
DHODH Q02127 2/20 0.34
HAO1 Q9UJM8 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TYMS P04818 1/20 0.32
NOTUM Q6P988 1/20 0.32
SLC6A9 P48067 4/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLK4 O00444 1/20 0.31
PTGER4 P35408 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
SCHEMBL7084846 0.88
SCHEMBL6975211 0.86 LMNA (0.37) KMT2ATYMSALDH1A1PTGER4
SCHEMBL7081207 0.86 ALDH1A1 (0.40) KMT2AATMALDH1A1SMN1; SMN2
SCHEMBL7082707 0.85 GRIN1 (0.38) CA2CA4KMT2AATMALDH1A1
SCHEMBL7084637 0.85 MAOA (0.35) CA2CA4HAO1MAOAMAOB
SCHEMBL7084710 0.83 SMN1; SMN2 (0.40) KMT2AATMALDH1A1SMN1; SMN2
SCHEMBL6968637 0.82 DHODH (0.34) CA2CA4DHODHHAO1KMT2A
SCHEMBL7083636 0.81 CA2 (0.36) CA2CA4DHODHHAO1KMT2A
SCHEMBL6969383 0.81 DHODH (0.41) CA2CA4DHODHHAO1KMT2A
SCHEMBL6961645 0.79 HSP90B1 (0.33) PTGER4

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 2 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