SCHEMBL20715674

SCHEMBL20715674

Nc1ccc(Br)cc1NCc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
EGFR P00533 1/20 0.39
CCR5 P51681 2/20 0.39
THRB P10828 1/20 0.39
DNM1 Q05193 1/20 0.39
APP P05067 1/20 0.38
HDAC1 Q13547 1/20 0.38
POLB P06746 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL9681992 0.87 HDAC8 (0.42) HDAC8MEN1KMT2AMAPTL3MBTL1
SCHEMBL1519151 0.83 SMN1; SMN2 (0.47) HDAC8MEN1KMT2ACYP1A2CYP2C9
SCHEMBL9682901 0.81 MAPT (0.43) HDAC8MEN1KMT2ARAB9AMAPT
SCHEMBL13559770 0.81 POLB (0.51) HDAC8MEN1KMT2ACYP1A2CYP2C9
SCHEMBL15824736 0.80 MEN1 (0.59) MEN1KMT2ARAB9AMAPTL3MBTL1
SCHEMBL16042274 0.78 GHSR (0.47) MAPT
SCHEMBL14847556 0.77 MAPT (0.43) MEN1KMT2AMAPTL3MBTL1EGFR
SCHEMBL13332614 0.77 KMT2A (0.51) MEN1KMT2ARAB9AMAPTL3MBTL1
SCHEMBL11268602 0.77 OXTR (0.49) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL13186988 0.77 ACP1 (0.49) HDAC8MEN1KMT2AMAPT

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-2019028308-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-02-07 WO disclosed