SCHEMBL8030438

SCHEMBL8030438

CNc1ccc(C(N)=NC(=O)OCc2ccccc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MGLL Q99685 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
HDAC1 Q13547 1/20 0.35
PLAU P00749 1/20 0.35
C5AR1 P21730 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL7367834 0.81 RAB9A (0.46) ALDH1A1TP53MAPTRAB9AGAA
SCHEMBL7330962 0.77 MGLL (0.42) CTSVCTSLALDH1A1TP53MAPT
SCHEMBL7348109 0.73 ALDH1A1 (0.59) ALDH1A1KMT2APLAU
SCHEMBL6375277 0.72 ALDH1A1 (0.50) ALDH1A1RAB9AKMT2APLAU
SCHEMBL7367831 0.71 ALDH1A1 (0.47) ALDH1A1TP53MAPTRAB9AGAA
SCHEMBL2432970 0.71 RARB (0.48) ALDH1A1RAB9AKMT2AABCC9ABCC8
SCHEMBL14559461 0.71 NOS1 (0.43) ALDH1A1RAB9AKMT2APLAU
SCHEMBL8446206 0.70 ALDH1A1 (0.51) ALDH1A1RAB9AKMT2APLAU
SCHEMBL5969414 0.70 ALDH1A1 (0.51) ALDH1A1RAB9AKMT2APLAU
SCHEMBL22090555 0.70 ALDH1A1 (0.63) CTSVCTSLALDH1A1MAPTRAB9A

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-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed