SCHEMBL26405742

SCHEMBL26405742

Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ncc1C(=O)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.51
▸ POLB P06746 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KCNK3 O14649 3/20 0.46
▸ KCNK9 Q9NPC2 3/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PTGS1 P23219 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ SORT1 Q99523 3/20 0.45
▸ RECQL P46063 1/20 0.45
▸ F2R P25116 1/20 0.44
▸ TDP1 Q9NUW8 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
SCHEMBL26405724 0.89 SORT1 (0.54) PTGESPOLBKDM4ESMN1; SMN2KMT2A
SCHEMBL26405685 0.87 ABL1 (0.54) PTGESPOLBKDM4ESMN1; SMN2KMT2A
SCHEMBL26405876 0.85 RAB9A (0.63) POLBKDM4ESMN1; SMN2KMT2AKCNK3
SCHEMBL5738920 0.81 PTGES (0.59) PTGESKDM4ESMN1; SMN2KCNK3KCNK9
SCHEMBL18083760 0.79 PTGES (0.53) PTGESKDM4ESMN1; SMN2KCNK3KCNK9
SCHEMBL31585829 0.75 HCAR3 (0.63) PTGESKDM4ESMN1; SMN2KMT2AKCNK3
SCHEMBL5234574 0.75 HCAR3 (0.63) PTGESKDM4ESMN1; SMN2KMT2AKCNK3
SCHEMBL26405652 0.75 PTGES (0.57) PTGESKDM4ESMN1; SMN2KMT2AKCNK3
SCHEMBL30416204 0.75 DEGS1 (0.60) PTGESKDM4ESMN1; SMN2KCNK3KCNK9
SCHEMBL25383706 0.74 PTGS1 (0.61) PTGESKDM4ESMN1; SMN2KCNK3KCNK9

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
EP-4253367-A1 NOVEL BENZAZEPINE SPIRO DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-10-04 — — EP disclosed
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