SCHEMBL13614285

SCHEMBL13614285

COC(=O)c1ccc([C@@H](C)N=[N+]=[N-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.53
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL19435705 1.00 PDE2A (0.53) PDE2ACA1CA2TDP1CA12
SCHEMBL27711819 0.82 LOXL2 (0.43) PDE2ATSHRMAPTRAB9AALDH1A1
SCHEMBL19435769 0.81 PDE2A (0.53) PDE2ATDP1MAPTRAB9AL3MBTL1
SCHEMBL26226803 0.80 MAPT (0.42) CA1CA2TDP1CA12CA7
SCHEMBL25214472 0.79 PDE2A (0.51) PDE2ACA1CA2CA9MAPT
SCHEMBL25246021 0.78 MAPK1 (0.49) PDE2ACA1CA2TDP1CA12
SCHEMBL29022617 0.78 CA1 (0.40) CA1CA2TDP1CA12CA7
SCHEMBL31470004 0.77 PDE2A (0.56) PDE2ACA1CA2CA12CA7
SCHEMBL26227724 0.77 NPC1 (0.43) CA1CA2TDP1CA12CA7
SCHEMBL25222349 0.76 DPP4 (0.39) PDE2ACA1CA2TDP1CA12

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
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 — — US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 — — US disclosed
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