SCHEMBL28055663

SCHEMBL28055663

CC(C)(C)OC(=O)N[C@@H]1CNCC[C@H]1O.O=COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SSTR4 P31391 5/20 0.39
SSTR1 P30872 3/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
CTSL P07711 1/20 0.38
EPHX2 P34913 1/20 0.38
SYK P43405 1/20 0.38
PDE4B Q07343 1/20 0.37
KCNA3 P22001 1/20 0.37
TSHR P16473 1/20 0.36
CPB1 P15086 1/20 0.36
PPARA Q07869 1/20 0.36
HTR2C P28335 1/20 0.35

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
SCHEMBL28055549 1.00 KMT2A (0.41) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL27820569 1.00 KMT2A (0.41) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL27839967 0.92 KMT2A (0.44) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL27893654 0.92 KMT2A (0.44) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL27970294 0.91 KMT2A (0.43) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL27893635 0.89 KMT2A (0.41) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL27910784 0.87 SSTR4 (0.41) KMT2AL3MBTL1SSTR4SSTR1KDM1A
SCHEMBL28826485 0.85 PRKCE (0.40) KMT2AL3MBTL1SSTR4SSTR1SYK
SCHEMBL27893646 0.84 SSTR4 (0.38) KMT2AL3MBTL1SSTR4SSTR1KDM1A
SCHEMBL27910872 0.82 SSTR4 (0.39) KMT2AL3MBTL1SSTR4SSTR1KDM1A

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
CN-104470919-B 2-(azaindole-2-base) benzimidazole as PAD4 inhibitor 葛兰素集团有限公司 2016-07-06 CN disclosed