SCHEMBL8100183

SCHEMBL8100183

CCOC(=O)c1cn(C2Cc3c(CC(=O)NC)cccc3C2=O)c(C(=O)OCC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRA2 P47869 5/20 0.34
GABRB2 P47870 5/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA4 P48169 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
SCHEMBL8100190 0.95 SMN1; SMN2 (0.33) GAACYP1A2LMNAMAPK1SMN1; SMN2
SCHEMBL8337950 0.95 GAA (0.35) GAACYP1A2LMNAMAPK1SMN1; SMN2
SCHEMBL8013343 0.90 GAA (0.38) GAACYP1A2LMNASMN1; SMN2GABRA2
SCHEMBL8099222 0.90 GAA (0.38) GAACYP1A2GABRA2GABRB2POLB
SCHEMBL7820509 0.90 GAA (0.34) GAACYP1A2GABRA2GABRB2TP53
SCHEMBL7820269 0.87 P2RY12 (0.37) GAAKMT2AMEN1
SCHEMBL8013354 0.87 GAA (0.36) GAACYP1A2GABRA2GABRB2TP53
SCHEMBL7844105 0.84 P2RX7 (0.34) P2RX7
SCHEMBL8098047 0.84 GAA (0.36) GAACYP1A2LMNASMN1; SMN2GABRA2
SCHEMBL8011792 0.83 GAA (0.36) GAACYP1A2GABRA2GABRB2POLB

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-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed