SCHEMBL30833732

SCHEMBL30833732

O=C(c1ccc(Br)cc1F)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.58
CPS1 P31327 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCR1 P32246 2/20 0.45
CCR2 P41597 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
HSD11B1 P28845 2/20 0.40
USP30 Q70CQ3 1/20 0.39
MEN1 O00255 1/20 0.39
KDM1A O60341 2/20 0.39
KDM1B Q8NB78 1/20 0.39

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
SCHEMBL13427 1.00 DGAT1 (0.58) DGAT1CPS1ALDH1A1KMT2ANPC1
SCHEMBL17997263 0.93 DGAT1 (0.54) DGAT1CPS1ALDH1A1KMT2ANPC1
SCHEMBL30619309 0.89 DGAT1 (0.50) DGAT1CPS1ALDH1A1KMT2ANPC1
SCHEMBL1173693 0.86 DGAT1 (0.44) DGAT1ALDH1A1KMT2ANPC1LMNA
SCHEMBL26187493 0.84 DGAT1 (0.49) DGAT1CPS1ALDH1A1KMT2ANPC1
SCHEMBL10395422 0.84 CPS1 (0.55) DGAT1CPS1KMT2ASMN1; SMN2HSD11B1
SCHEMBL3522856 0.83 DGAT1 (0.47) DGAT1CPS1ALDH1A1KMT2ANPC1
SCHEMBL25805320 0.83 DGAT1 (0.47) DGAT1CPS1ALDH1A1KMT2ANPC1
SCHEMBL18321747 0.82 CPS1 (0.50) DGAT1CPS1KMT2ASMN1; SMN2HSD11B1
SCHEMBL6141006 0.81 L3MBTL1 (0.61) CPS1ALDH1A1KMT2AGAAL3MBTL1

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
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed