SCHEMBL8927259

SCHEMBL8927259

O=C(CCCCBr)Nc1ccccc1Cl

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.84
MEN1 O00255 2/20 0.84
HTT P42858 1/20 0.57
HDAC1 Q13547 3/20 0.56
HDAC3 O15379 2/20 0.53
HDAC2 Q92769 2/20 0.53
NCOR2 Q9Y618 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL15480415 0.84 MEN1 (0.84) KMT2AMEN1HTTHDAC1HDAC3
SCHEMBL29152068 0.82 MEN1 (0.56) KMT2AMEN1HDAC1HDAC3HDAC2
SCHEMBL5456482 0.81 KMT2A (0.68) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL31146466 0.81 KMT2A (0.68) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL29152081 0.81 HDAC3 (0.57) KMT2AMEN1HDAC1HDAC3HDAC2
SCHEMBL10499295 0.81 HDAC3 (0.60) KMT2AMEN1HDAC1HDAC3HDAC2
SCHEMBL29152061 0.81 HDAC3 (0.57) KMT2AMEN1HDAC1HDAC3HDAC2
SCHEMBL3679343 0.81 MEN1 (0.55) KMT2AMEN1HTTHDAC1HDAC3
SCHEMBL17293496 0.80 CACNA1G (0.55) KMT2AMEN1HDAC1HDAC3NPC1
SCHEMBL31695276 0.80 CACNA1G (0.55) KMT2AMEN1HDAC1HDAC3NPC1

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
US-5631403-A HYDROLYSIS OF HALOCARBOXANILIDE IN SOLVENT HOECHST AG (DE) 1997-05-20 US disclosed