SCHEMBL14081532

SCHEMBL14081532

CCc1ccc(CCN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCCC3CCCCC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ DCTPP1 Q9H773 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ADRA1A P35348 4/20 0.37
▸ ADRA1D P25100 3/20 0.37
▸ ADRA1B P35368 3/20 0.37
▸ TP53 P04637 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36

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
SCHEMBL11943323 0.93 ALDH1A1 (0.42) LMNAALDH1A1POLBMAPTMAPK1
SCHEMBL11943436 0.89 SIGMAR1 (0.43) LMNAALDH1A1POLBMAPTMAPK1
SCHEMBL11943398 0.86 SMN1; SMN2 (0.42) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL11943445 0.85 ALDH1A1 (0.49) LMNAALDH1A1POLBMAPTMAPK1
SCHEMBL17058530 0.84 MAPT (0.49) LMNAALDH1A1POLBMAPTMAPK1
SCHEMBL11943367 0.83 NPC1 (0.40) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL11943444 0.83 NPBWR1 (0.43) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL11943405 0.82 DRD2 (0.40) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL11943366 0.81 SMO (0.47) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL11943369 0.81 ALDH1A1 (0.41) LMNAALDH1A1MAPTHSD17B10KMT2A

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-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
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