SCHEMBL14905655

SCHEMBL14905655

CCc1n[nH]cc1C(=O)Oc1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL718165 0.75 TSHR (0.40) MAPTKMT2ATSHR
SCHEMBL28725043 0.75 ALOX5 (0.42) MAPTKMT2ATSHRMEN1HTT
SCHEMBL25352818 0.74 MAP2K1 (0.33) MAPTKMT2ATSHRMEN1
SCHEMBL3356162 0.73 KMT2A (0.49) MAPTKMT2ATSHRMEN1
SCHEMBL15309515 0.71 CYP3A4 (0.36) MAPTTP53KMT2ATSHRMEN1
SCHEMBL553835 0.71 GABRP (0.44) KMT2ATSHRMEN1
SCHEMBL27860338 0.70 HMGCR (0.37) CCNE2CCNE1CDK2KMT2AMEN1
SCHEMBL18989231 0.70 CDC7 (0.36) MAPTKMT2AMEN1
SCHEMBL29159076 0.70 POLB (0.39) CYP4F2CYP4A11MAPTTP53KMT2A
SCHEMBL25351425 0.68 KDM4E (0.47) MAPTTP53TSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed