SCHEMBL28857648

SCHEMBL28857648

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4cccnc4)cc3)s2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.46
▸ ABL1 P00519 3/20 0.46
▸ PDGFRB P09619 3/20 0.46
▸ KDR P35968 3/20 0.46
▸ HDAC4 P56524 3/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC7 Q8WUI4 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC10 Q969S8 3/20 0.46
▸ HDAC11 Q96DB2 3/20 0.46
▸ HDAC8 Q9BY41 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC9 Q9UKV0 3/20 0.46
▸ HDAC5 Q9UQL6 3/20 0.46
▸ PORCN Q9H237 2/20 0.44
▸ POLB P06746 2/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ DNM1L O00429 1/20 0.41

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
SCHEMBL28857574 0.90 MGLL (0.48) POLBMGLL
SCHEMBL29898235 0.88 POLB (0.44) HDAC3ABL1PDGFRBKDRHDAC4
SCHEMBL28857598 0.88 POLB (0.44) HDAC3ABL1PDGFRBKDRHDAC4
SCHEMBL28857632 0.82 IMPDH2 (0.46) POLB
SCHEMBL28857620 0.79 TNIK (0.49) POLB
SCHEMBL28857603 0.79 MEN1 (0.45) POLB
SCHEMBL28857581 0.79 LMNA (0.48) POLBMGLL
SCHEMBL29898258 0.78 POLB (0.49) POLB
SCHEMBL28857641 0.78 SMN1; SMN2 (0.51) HDAC1POLB
SCHEMBL28857590 0.78 POLB (0.51) POLB

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-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 — — CN claimed
CN-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 — — CN disclosed
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