SCHEMBL25914490

SCHEMBL25914490

CC(=O)Nc1ccc(F)c(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HDAC1 Q13547 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GLA P06280 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
RAB9A P51151 1/20 0.47
TNNC1 P63316 1/20 0.47
RUNX1 Q01196 1/20 0.47
CBFB Q13951 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47

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
SCHEMBL7057962 0.85 HDAC1 (0.52) MEN1KMT2AMAPTALDH1A1HDAC1
SCHEMBL27438068 0.82 SMN1; SMN2 (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL863069 0.82 RAB9A (0.58) MEN1KMT2AMAPTALDH1A1HDAC1
SCHEMBL30368269 0.82 RAB9A (0.58) MEN1KMT2AMAPTALDH1A1HDAC1
SCHEMBL11798087 0.81 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL22374212 0.79 PKM (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL25914487 0.79 TDP1 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13414534 0.79 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1HDAC1
SCHEMBL11802375 0.79 PKM (0.59) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30675577 0.79 PKM (0.59) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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
WO-2023144736-A1 COMPOSITIONS FOR PREVENTING OR TREATING PULMONARY ARTERIAL HYPERTENSION CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed
WO-2023144737-A1 COMPOSITIONS FOR PREVENTING OR TREATING HEART FAILURE (HF) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed