SCHEMBL25465828

SCHEMBL25465828

O=c1c2ccc(Br)cc2cnn1Cc1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ GPR35 Q9HC97 1/20 0.58
▸ TDP1 Q9NUW8 2/20 0.51
▸ LMNA P02545 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ PKLR P30613 1/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ NPBWR1 P48145 6/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ TRAP1 Q12931 1/20 0.41
▸ MAPT P10636 2/20 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
SCHEMBL25184042 0.84 TDP1 (0.43) KMT2AMEN1RAB9APOLBBLM
SCHEMBL30375688 0.84 TDP1 (0.43) KMT2AMEN1RAB9APOLBBLM
SCHEMBL20786971 0.84 TDP1 (0.55) KMT2AMEN1RAB9ASMN1; SMN2NPSR1
SCHEMBL25183263 0.82 AKR1B1 (0.42) KMT2AMEN1RAB9APOLBBLM
SCHEMBL25183975 0.78 NPBWR1 (0.54) KMT2ARAB9ALMNAPKMNPC1
SCHEMBL30376079 0.78 NPBWR1 (0.54) KMT2ARAB9ALMNAPKMNPC1
SCHEMBL20786947 0.78 NPC1 (0.46) KMT2AMEN1RAB9ASMN1; SMN2TDP1
SCHEMBL20786950 0.78 ALDH1A1 (0.48) KMT2AMEN1RAB9ASMN1; SMN2TDP1
SCHEMBL18980285 0.77 SMN1; SMN2 (0.73) KMT2AMEN1RAB9APOLBBLM
SCHEMBL18979949 0.76 RAB9A (0.67) KMT2AMEN1RAB9APOLBBLM

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
WO-2023079294-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2023-05-11 — — WO disclosed
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