SCHEMBL9753400

SCHEMBL9753400

CC(C)c1c(C=O)c(-c2ccc(F)cc2Cl)nn2cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 8/20 0.35
MAPK13 O15264 6/20 0.35
MAPK12 P53778 6/20 0.35
MAPK11 Q15759 6/20 0.35
HSD11B1 P28845 2/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SPR P35270 1/20 0.32
JAK2 O60674 1/20 0.32
GRM2 Q14416 2/20 0.32
RORC P51449 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
EGFR P00533 1/20 0.31
RAF1 P04049 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
SCHEMBL9752977 0.90 TP53 (0.34) TP53MAPK14MAPK13MAPK12MAPK11
SCHEMBL9752975 0.90 TP53 (0.34) TP53MAPK14MAPK13MAPK12MAPK11
SCHEMBL9752941 0.89 ALDH1A1 (0.35) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL27347534 0.82 RORC (0.37) TP53MEN1KMT2AMAPK14HSD11B1
SCHEMBL9753321 0.82 MAPK14 (0.44) KMT2AMAPK14ALDH1A1EGFRRAF1
SCHEMBL9753419 0.80 GRM2 (0.36) TP53MAPK14MAPK13MAPK12MAPK11
SCHEMBL9753040 0.80 PTGS2 (0.36) MAPK14ALDH1A1SPREGFRADORA2A
SCHEMBL9753670 0.79 HMGCR (0.34) CNR1CNR2ADORA3
SCHEMBL9753663 0.79 HMGCR (0.34) CNR1CNR2ADORA3
SCHEMBL9753413 0.79 HMGCR (0.44) ALDH1A1ADORA3

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
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed
CN-1056690-A PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed