SCHEMBL8902205

SCHEMBL8902205

CCc1nccn1-c1cc(C(=O)OC(=O)C(F)(F)F)ccc1NC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 2/20 0.35
PLAA Q9Y263 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
KMT2A Q03164 3/20 0.35
ALPL P05186 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TP53 P04637 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 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
SCHEMBL8901564 0.87 ALDH1A1 (0.34) F2F10KMT2ACYP1A2CYP2C9
Trifluoroacetic Acid SCHEMBL8902193 0.85 ALDH1A1 (0.39) ALPGPLAAF2F10KMT2A
SCHEMBL8900520 0.82 ALDH1A1 (0.43) ALPGPLAAKMT2AALPLPDE4A
SCHEMBL8900647 0.81 MAPT (0.35) CYP1A2CYP2C9CYP2C19ALDH1A1TP53
SCHEMBL8901213 0.72 ALDH1A1 (0.38) KMT2ACYP2C19ALDH1A1TP53MEN1
SCHEMBL8891832 0.72 TLR8 (0.35) KMT2ATP53
SCHEMBL8894617 0.72 ADORA3 (0.38) KMT2AALDH1A1TP53MEN1HPGD
SCHEMBL8891105 0.71 ADORA3 (0.39) F2KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL8901135 0.71 ALOX15 (0.40) KMT2AALDH1A1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL8901557 0.71 NEU3 (0.42) KMT2ACYP1A2ALDH1A1MEN1HPGD

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
WO-1997033872-A1 ANTI-VIRAL 4-ACYLAMINO-3-[IMIDAZOL-I-YL]-BENZOIC ACID DERIVATIVES BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1997-09-18 WO disclosed