SCHEMBL31388142

SCHEMBL31388142

O=C(c1cc2ccccc2s1)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.54
▸ BCL2L1 Q07817 1/20 0.51
▸ HRH4 Q9H3N8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49
▸ DRD2 P14416 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SLC9A1 P19634 1/20 0.44
▸ TBXAS1 P24557 2/20 0.44
▸ CNR1 P21554 1/20 0.43

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
SCHEMBL6396188 0.72 FLT3 (0.54) NAMPTHRH4DRD2DRD3HRH3
SCHEMBL1186098 0.72 CES2 (0.49) TBXAS1
SCHEMBL30366356 0.71 FAAH (0.44) TBXAS1
SCHEMBL11716133 0.71 ALDH1A1 (0.49) —
SCHEMBL31356465 0.70 BCL2L1 (0.74) BCL2L1HRH4L3MBTL1HDAC3HDAC4
SCHEMBL6321234 0.70 BCL2L1 (0.74) BCL2L1HRH4L3MBTL1HDAC3HDAC4
SCHEMBL7209477 0.70 BCL2L1 (0.74) BCL2L1HRH4L3MBTL1HDAC3HDAC4
SCHEMBL4052946 0.70 HRH4 (0.58) BCL2L1HRH4L3MBTL1HDAC3HDAC4
SCHEMBL26135553 0.70 DAO (0.46) NAMPTTBXAS1
SCHEMBL1424751 0.70 CYP19A1 (0.47) L3MBTL1TBXAS1

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-119431227-A Azacarbene catalysis is coupled by decarboxylation of (a) 中国海洋大学 2025-02-14 — — CN disclosed
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