SCHEMBL30427679

SCHEMBL30427679

O=C(O)CCCc1cccnc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ TBXAS1 P24557 8/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL30427691 0.91 KDM4E (0.42) HDAC6TBXAS1KDM4ECYP1A2MAPT
SCHEMBL27764516 0.82 MMP12 (0.41) HDAC6KDM4ECYP1A2MAPTALDH1A1
SCHEMBL26547489 0.76 SHMT2 (0.51) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL30427695 0.76 SSTR4 (0.46) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL30427744 0.74 HDAC1 (0.54) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL1508565 0.74 HDAC1 (0.54) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL30684525 0.74 CHRM1 (0.56) SMN1; SMN2TBXAS1MEN1KMT2AALDH1A1
SCHEMBL12525192 0.74 GRM5 (0.42) SMN1; SMN2HDAC6KDM4EMAPTHTT
SCHEMBL844943 0.73 KDM4E (0.42) MAPK1SMN1; SMN2HDAC6KDM4ECYP1A2
SCHEMBL30612302 0.73 KDM4E (0.42) MAPK1SMN1; SMN2HDAC6KDM4ECYP1A2

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-116209433-B Small molecule albumin binding agents 俄勒冈健康科学大学 2025-05-23 — — CN disclosed
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 — — CN disclosed
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