SCHEMBL14081502

SCHEMBL14081502

O=Cc1ccccc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 3/20 0.51
▸ ALDH1A1 P00352 9/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPK14 Q16539 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SLC6A7 Q99884 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL11943384 0.87 DCTPP1 (0.55) DCTPP1ALDH1A1RXFP1SMN1; SMN2KDM4E
SCHEMBL11943477 0.81 ALDH1A1 (0.50) DCTPP1ALDH1A1RXFP1SMN1; SMN2MAPK14
SCHEMBL11943474 0.80 FAAH (0.49) DCTPP1ALDH1A1RXFP1SMN1; SMN2KDM4E
SCHEMBL11943390 0.79 ALDH1A1 (0.48) DCTPP1ALDH1A1RXFP1SMN1; SMN2MAPK14
SCHEMBL11943391 0.77 SMN1; SMN2 (0.47) DCTPP1ALDH1A1RXFP1SMN1; SMN2KDM4E
SCHEMBL14082616 0.77 HTR1A (0.52) DCTPP1ALDH1A1RXFP1SMN1; SMN2MAPK14
SCHEMBL11943389 0.76 KMT2A (0.49) DCTPP1ALDH1A1RXFP1SMN1; SMN2KDM4E
SCHEMBL11943482 0.76 GFER (0.58) DCTPP1ALDH1A1RXFP1SMN1; SMN2MAPK14
SCHEMBL11944525 0.75 ALDH1A1 (0.65) DCTPP1ALDH1A1RXFP1SMN1; SMN2MAPK14
SCHEMBL11943422 0.75 MAPK14 (0.45) DCTPP1ALDH1A1RXFP1SMN1; SMN2KDM4E

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-2008115385-A2 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
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