SCHEMBL28487995

SCHEMBL28487995

O=C(NC1[CH]C1)c1cccc2ccn(Cc3nc4ccccc4o3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CXCR6 O00574 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 1/20 0.36
ROCK2 O75116 1/20 0.36
AKR1B1 P15121 2/20 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
SCHEMBL12584495 0.82 MEN1 (0.47) EGLN2EGLN1EGLN3HDAC11HDAC3
SCHEMBL28484362 0.82 NPC1 (0.38) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL28487481 0.81 HDAC11 (0.42) HDAC11HDAC3HDAC4HDAC1HDAC7
SCHEMBL989492 0.81 MAPT (0.42) HDAC11HDAC3HDAC4HDAC1HDAC7
SCHEMBL28486517 0.78 BCHE (0.43) EGLN2EGLN1EGLN3HDAC11HDAC3
SCHEMBL22276151 0.77 PTGER4 (0.39) EGLN2EGLN1EGLN3HDAC11HDAC3
SCHEMBL12585731 0.77 PTGER4 (0.62) PTGER4PTGDR
SCHEMBL23890335 0.77 PTGER4 (0.39) EGLN2EGLN1EGLN3HDAC11HDAC3
SCHEMBL28493532 0.76 PTGER4 (0.48) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL12584494 0.76 PTGER4 (0.52) MEN1KMT2APTGER4PTGDRNPC1

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
CN-111989311-B Compound for inhibiting PGE2/EP4 signal transduction, preparation method thereof and application thereof in medicines 凯复(苏州)生物医药有限公司 2022-03-22 CN disclosed
CN-111989311-A Compound for inhibiting PGE2/EP4 signal transduction, preparation method thereof and application thereof in medicines 凯复(苏州)生物医药有限公司 2020-11-24 CN disclosed