SCHEMBL29717153

SCHEMBL29717153

CN(C)c1ccc2cc(C(=O)N[C@@H](CCCNC(=N)CF)c3ncc(-c4ccccc4)o3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ PADI6 Q6TGC4 1/20 0.41
▸ PADI4 Q9UM07 1/20 0.41
▸ PADI2 Q9Y2J8 1/20 0.41
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC3 O15379 3/20 0.38
▸ HDAC4 P56524 3/20 0.38
▸ HDAC7 Q8WUI4 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC10 Q969S8 3/20 0.38
▸ HDAC11 Q96DB2 3/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38
▸ HDAC9 Q9UKV0 3/20 0.38
▸ HDAC5 Q9UQL6 3/20 0.38
▸ UTS2R Q9UKP6 6/20 0.36
▸ S1PR2 O95136 1/20 0.34

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
SCHEMBL24301582 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24301580 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL26902789 0.93 HDAC1 (0.36) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24302409 0.93 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24302111 0.93 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL29717165 0.93 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL26667444 0.93 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24302411 0.93 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24301584 0.93 UTS2R (0.38) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL26667458 0.93 UTS2R (0.38) PDE4APDE4BPDE4CPDE4DPADI6

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
EP-4225743-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF Helios Huaming Biopharma Co., Ltd. (CN) 2023-08-16 — — EP disclosed
WO-2022078294-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2022-04-21 — — WO disclosed
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