SCHEMBL7929205

SCHEMBL7929205

OCCc1cc(Br)ccc1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 1/20 0.34
USP25 Q9UHP3 1/20 0.34
PDPK1 O15530 1/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
CHEK1 O14757 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
TTR P02766 1/20 0.31

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
SCHEMBL7927948 0.88 PTGDR2 (0.39) USP28USP25PDPK1HTTALDH1A1
SCHEMBL8359689 0.76 CCR5 (0.31)
SCHEMBL8356086 0.74 NPC1 (0.41) PDPK1ALDH1A1GAAHPGDPOLB
SCHEMBL8358341 0.74 SIGMAR1 (0.50) HTTALDH1A1GAAPOLBMAPT
SCHEMBL3846753 0.71 NPC1 (0.38) PDPK1ALDH1A1GAAHPGDPOLB
SCHEMBL16229879 0.71 ESR1 (0.49) ALDH1A1GAAPOLBMAPTESR1
SCHEMBL4667993 0.71 CYP1A2 (0.41) HTTALDH1A1GAAHPGDPOLB
SCHEMBL8359695 0.70 LMNA (0.31)
Ammonia Solution, Strong SCHEMBL4904766 0.70 CYP1A2 (0.40) HTTALDH1A1GAAHPGDPOLB
SCHEMBL27397367 0.69 GSK3B (0.41) ALDH1A1L3MBTL1GAAMAPTNPC1

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-6235871-B1 Synthesis of oligoarylamines, and uses and reagents related thereto MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-05-22 US disclosed
WO-1999028290-A1 SYNTHESIS OF OLIGOARYLAMINES, AND USES AND REAGENTS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-06-10 WO disclosed