SCHEMBL14082776

SCHEMBL14082776

Cc1cc(C)cc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCc3ccccc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.44
▸ LMNA P02545 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SMO Q99835 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ DCTPP1 Q9H773 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL14081538 0.94 MAPK14 (0.41) MAPK14LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL11943401 0.93 ALDH1A1 (0.47) MAPK14LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL14080954 0.91 ALDH1A1 (0.51) MAPK14LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL11943422 0.89 MAPK14 (0.45) MAPK14LMNAALDH1A1SMN1; SMN2POLB
SCHEMBL11943428 0.87 SMO (0.44) MAPK14LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL11943438 0.87 KDM4E (0.46) LMNAALDH1A1TP53POLBKMT2A
SCHEMBL11943370 0.86 MAPT (0.41) MAPK14LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL11943391 0.85 SMN1; SMN2 (0.47) MAPK14LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL11943403 0.85 ALDH1A1 (0.55) MAPK14LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL11943328 0.85 MAPK14 (0.44) MAPK14LMNAALDH1A1SMN1; SMN2POLB

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-2008115385-A2 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
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