SCHEMBL7927992

SCHEMBL7927992

CC(C)(C)OC(=O)N(c1ccc(Br)cc1)c1ccc(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.46
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
PTBP1 P26599 1/20 0.38
HTT P42858 1/20 0.38
KLF5 Q13887 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HSP90AA1 P07900 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL13148722 1.00 MT-CO2 (0.46) MT-CO2RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL922803 1.00 MT-CO2 (0.46) MT-CO2RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL28440815 0.93 ATM (0.46) MT-CO2RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL517256 0.93 MT-CO2 (0.42) MT-CO2RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL7930497 0.92 MT-CO2 (0.41) MT-CO2RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL16523071 0.91 KDM4E (0.40) MT-CO2RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL7929176 0.91 RAB9A (0.50) MT-CO2RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL16627083 0.89 ATM (0.42) MT-CO2RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL516526 0.89 MT-CO2 (0.40) MT-CO2RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL14740797 0.86 RAB9A (0.41) MT-CO2RAB9ANPC1SMN1; SMN2RECQL

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