SCHEMBL29665828

SCHEMBL29665828

O=C(NC1CCC(Nc2cc(C(F)(F)F)nc(C(F)(F)F)c2)CC1)c1cccc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DHPS P49366 1/20 0.42
▸ CD38 P28907 1/20 0.41
▸ AHR P35869 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ PTGES O14684 3/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 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
SCHEMBL24632282 1.00 BRD4 (0.44) BRD4L3MBTL1POLBMAPTMEN1
SCHEMBL24512826 0.87 AHR (0.51) L3MBTL1POLBMAPTMEN1KMT2A
SCHEMBL29665861 0.87 AHR (0.51) L3MBTL1POLBMAPTMEN1KMT2A
SCHEMBL29316688 0.85 BRD4 (0.43) BRD4L3MBTL1POLBMAPTMEN1
SCHEMBL29315568 0.81 AHR (0.47) L3MBTL1POLBMAPTMEN1KMT2A
SCHEMBL24583722 0.81 ATR (0.41) BRD4L3MBTL1POLBMAPTMEN1
SCHEMBL29696916 0.81 ATR (0.41) BRD4L3MBTL1POLBMAPTMEN1
Hydrochloric Acid SCHEMBL2039646 0.80 L3MBTL1 (0.56) BRD4L3MBTL1DHPSCD38KDR
SCHEMBL24513509 0.79 TAS2R14 (0.43) BRD4L3MBTL1POLBMAPTMEN1
SCHEMBL29665884 0.79 TAS2R14 (0.43) BRD4L3MBTL1POLBMAPTMEN1

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-4259604-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-18 — — EP disclosed
WO-2022125636-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-16 — — WO disclosed
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