SCHEMBL7929176

SCHEMBL7929176

COc1ccc(N(C(=O)OC(C)(C)C)c2ccc(N(C(=O)OC(C)(C)C)c3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MT-CO2 P00403 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
NPC1 O15118 4/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL922803 0.91 MT-CO2 (0.46) RAB9AMAPTNPSR1KMT2ALMNA
SCHEMBL7927992 0.91 MT-CO2 (0.46) RAB9AMAPTNPSR1KMT2ALMNA
SCHEMBL13148722 0.91 MT-CO2 (0.46) RAB9AMAPTNPSR1KMT2ALMNA
SCHEMBL28440815 0.84 ATM (0.46) RAB9AMAPTNPSR1KMT2ALMNA
SCHEMBL517256 0.84 MT-CO2 (0.42) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL6353244 0.84 CA1 (0.59) RAB9ANPSR1KMT2AMT-CO2NPC1
SCHEMBL7930497 0.83 MT-CO2 (0.41) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL16523071 0.82 KDM4E (0.40) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL14809012 0.81 BCL2A1 (0.48) RAB9AMAPTNPSR1KMT2ALMNA
SCHEMBL14809010 0.81 BCL2A1 (0.48) RAB9AMAPTNPSR1KMT2ALMNA

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-6235871-B1 Synthesis of oligoarylamines, and uses and reagents related thereto MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-05-22 US disclosed