SCHEMBL17058511

SCHEMBL17058511

CCCCCCCc1c(N2CCN(SCc3ccccc3)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ SMN1; SMN2 Q16637 7/20 0.44
▸ LMNA P02545 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ ALDH1A1 P00352 8/20 0.42
▸ PPARG P37231 2/20 0.42
▸ NCOA2 Q15596 2/20 0.42
▸ NCOA1 Q15788 2/20 0.42
▸ DCTPP1 Q9H773 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BRD9 Q9H8M2 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MCL1 Q07820 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
SCHEMBL17058434 0.84 RAB9A (0.50) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11945813 0.82 MAPT (0.59) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL14081373 0.79 ALDH1A1 (0.38) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058143 0.76 SMN1; SMN2 (0.43) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11943801 0.73 MAPT (0.49) MAPTPOLBKMT2AALDH1A1PPARG
SCHEMBL11943811 0.73 MAPT (0.49) MAPTPOLBKMT2AALDH1A1PPARG
SCHEMBL17058281 0.73 SMN1; SMN2 (0.43) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058284 0.70 SLC2A1 (0.38) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058375 0.70 ALDH1A1 (0.39) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058031 0.70 MAPT (0.41) MAPTSMN1; SMN2LMNAPOLBKMT2A

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
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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