SCHEMBL17058143

SCHEMBL17058143

CC(C)COc1c(N2CCN(SCc3ccccc3)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ MAPT P10636 3/20 0.42
▸ MCHR1 Q99705 2/20 0.41
▸ ALDH1A1 P00352 7/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ DCTPP1 Q9H773 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ NPBWR1 P48145 2/20 0.37

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
SCHEMBL17057934 0.81 MAPK14 (0.47) SMN1; SMN2LMNAPOLBKMT2ARAB9A
SCHEMBL17058434 0.79 RAB9A (0.50) SMN1; SMN2LMNAPOLBKMT2ARAB9A
SCHEMBL17058031 0.78 MAPT (0.41) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058284 0.78 SLC2A1 (0.38) SMN1; SMN2LMNAPOLBKMT2ARAB9A
SCHEMBL17058243 0.77 ALDH1A1 (0.36) SMN1; SMN2LMNAPOLBKMT2ARAB9A
SCHEMBL17057900 0.77 ALDH1A1 (0.39) SMN1; SMN2LMNAPOLBKMT2ARAB9A
SCHEMBL17058373 0.77 MAPT (0.46) SMN1; SMN2LMNAPOLBKMT2ARAB9A
SCHEMBL17057971 0.76 ALDH1A1 (0.36) SMN1; SMN2LMNAPOLBKMT2ARAB9A
SCHEMBL17058560 0.76 SMN1; SMN2 (0.38) SMN1; SMN2LMNAPOLBKMT2ARAB9A
SCHEMBL17058287 0.76 NPBWR1 (0.41) SMN1; SMN2LMNAPOLBMAPTMCHR1

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
Send feedback