SCHEMBL7249694

SCHEMBL7249694

Cc1cc(N)cc(COc2cc[c]cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.51
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 8/20 0.39
HDAC8 Q9BY41 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
APP P05067 1/20 0.37
TSPO P30536 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TACR1 P25103 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
SCHEMBL6741410 0.92 PARP10 (0.54) PARP10MAOBHDAC8MAOASMN1; SMN2
SCHEMBL5370546 0.79 PARP10 (0.65) PARP10ALDH1A1TSHRMAOBHDAC8
SCHEMBL920280 0.77 MAOB (0.61) MAOBMAOA
SCHEMBL2168633 0.77 MAOB (0.57) MAOBGAAMAPTMAOARAB9A
SCHEMBL8734299 0.76 PARP10 (0.38) PARP10ALDH1A1MAOBHDAC8MAPT
SCHEMBL27553486 0.75 MAOB (0.61) MAOBGAAMAPTMAOARAB9A
SCHEMBL543113 0.75 MAOB (0.54) PARP10ALDH1A1MAOBMAPTMAOA
SCHEMBL7245257 0.75 TSHR (0.46) PARP10TSHRMAOBMAPTMAOA
SCHEMBL7253353 0.75 MEN1 (0.39) PARP10ALDH1A1TSHRHDAC8MAPT
SCHEMBL12220476 0.73 PARP10 (0.50) PARP10ALDH1A1MAOBGAAMAPT

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
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed