SCHEMBL30550902

SCHEMBL30550902

N[C@@H](CO)CCCn1ccc2cc(Br)c(F)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 9/20 0.37
▸ TIPARP Q7Z3E1 5/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ PSMB1 P20618 4/20 0.34
▸ PSMB5 P28074 4/20 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
SCHEMBL25320565 1.00 TNF (0.37) TNFTIPARPHDAC3HDAC1HDAC6
SCHEMBL25320560 1.00 TNF (0.37) TNFTIPARPHDAC3HDAC1HDAC6
SCHEMBL25319089 0.85 TIPARP (0.39) TNFTIPARPHDAC3HDAC1HDAC6
SCHEMBL25319081 0.85 TIPARP (0.39) TNFTIPARPHDAC3HDAC1HDAC6
SCHEMBL30550904 0.85 TIPARP (0.39) TNFTIPARPHDAC3HDAC1HDAC6
SCHEMBL25324896 0.84 PSMB1 (0.41) TNFTIPARPHDAC3HDAC1HDAC6
SCHEMBL25898499 0.82 TIPARP (0.34) TNFTIPARPHDAC3HDAC1HDAC6
SCHEMBL31362947 0.81 HTR2C (0.34) PSMB1PSMB5
SCHEMBL25321729 0.80 TNF (0.43) TNFTIPARPHDAC3HDAC1HDAC6
SCHEMBL31362983 0.78 TIPARP (0.42) TNFTIPARPHDAC3HDAC1HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 — — EP disclosed
CN-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 — — CN disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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