SCHEMBL29025569

SCHEMBL29025569

CCc1cc(OCc2ccccc2)c(OC)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMPD1 P17405 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SRD5A1 P18405 2/20 0.48
SRD5A2 P31213 2/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL4984703 0.88 KMT2A (0.61) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL18425701 0.87 KMT2A (0.60) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL30323792 0.87 KMT2A (0.60) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL18423751 0.87 KMT2A (0.60) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL23094469 0.87 KMT2A (0.60) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL23094689 0.87 KMT2A (0.60) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL18459646 0.86 KMT2A (0.57) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL1318112 0.84 MEN1 (0.56) KMT2AMEN1SMN1; SMN2HPGDNPC1
SCHEMBL18396943 0.84 KMT2A (0.54) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL27281431 0.84 FFAR4 (0.48) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1

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-116178383-B Method for synthesizing alkaloid by catalyzing alkaloid and ferric iron porphyrin 南方科技大学 2025-04-22 CN disclosed
CN-116178383-A Method for synthesizing alkaloid by catalyzing alkaloid and ferric iron porphyrin 南方科技大学 2023-05-30 CN disclosed