SCHEMBL9752950

SCHEMBL9752950

COC(=O)c1ccc2c(C(C)C)c(COC3CCCCO3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 11/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
GCGR P47871 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 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
SCHEMBL9753073 0.85 L3MBTL1 (0.33) GABRA5GABRG2GABRB3
SCHEMBL9752951 0.81 LMNA (0.36) GABRA5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9753038 0.80 GCGR (0.47) GABRA5ALDH1A1LMNAMAPTTP53
SCHEMBL9753687 0.72 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTTP53
SCHEMBL9753310 0.70 ALDH1A1 (0.37) GABRA5ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL27438907 0.70 ALDH1A1 (0.37) GABRA5ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9879298 0.69 ADORA3 (0.41) GABRA5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9265733 0.67 GCGR (0.50) ALDH1A1MEN1KMT2AGCGR
SCHEMBL6958480 0.67 GCGR (0.61) GCGR
SCHEMBL9753762 0.66 HMGCR (0.39) ALDH1A1

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