SCHEMBL8431817

SCHEMBL8431817

NC(=O)Nc1cccc(Br)c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 4/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
KIF11 P52732 1/20 0.44
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
EGFR P00533 1/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL2050021 0.85 L3MBTL1 (0.67) GAAKDM4EL3MBTL1KMT2AHTT
SCHEMBL11582104 0.83 GAA (0.41) GAAKDM4EL3MBTL1KMT2AHTT
SCHEMBL27823770 0.82 KIF11 (0.53) GAAKDM4EL3MBTL1KMT2AHTT
SCHEMBL8436453 0.80 L3MBTL1 (0.71) GAAKDM4EL3MBTL1KMT2AMEN1
SCHEMBL11883866 0.80 L3MBTL1 (0.46) GAAKDM4EL3MBTL1KMT2AHTT
SCHEMBL6694336 0.80 RXFP1 (0.53) GAAKDM4EKMT2AHTTMEN1
SCHEMBL29840068 0.80 GAA (0.67) GAAKDM4EKMT2AHTTMEN1
SCHEMBL3928666 0.80 GAA (0.67) GAAKDM4EKMT2AHTTMEN1
SCHEMBL15952997 0.79 NPC1 (0.57) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29221018 0.79 PDCD1 (0.48) KMT2AMEN1NPC1RAB9AMAPT

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
US-5942536-A USEFUL FOR TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed