SCHEMBL5337672

SCHEMBL5337672

COCOc1ccc(-c2nc3c(CBr)cccc3o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.43
UTRN P46939 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
F2RL3 Q96RI0 1/20 0.37
CEPT1 Q9Y6K0 1/20 0.37
TOP2A P11388 1/20 0.37

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
SCHEMBL5332553 0.84 CEPT1 (0.51) PTPN1UTRNCHRNB4CHRNA3CHRNA7
SCHEMBL5335547 0.81 PTPN1 (0.41) PTPN1UTRNCHRNB4CHRNA3CHRNA7
SCHEMBL5340643 0.80 F2RL3 (0.38) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL10852711 0.79 SMN1; SMN2 (0.46) UTRNKDM4EALDH1A1MAPTHPGD
SCHEMBL4584082 0.78 ADA (0.47) PTPN1UTRNKDM4EALDH1A1HPGD
SCHEMBL5341017 0.77 F2RL3 (0.39) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL18935867 0.74 PTPN1 (0.42) PTPN1UTRNKDM4EALDH1A1HPGD
SCHEMBL5340379 0.72 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL2108792 0.71 TOP2A (0.52) PTPN1KDM4EALDH1A1MAPTHPGD
SCHEMBL28892178 0.70 ELANE (0.39) KDM4EALDH1A1HPGDMEN1KMT2A

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-7262301-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2007-08-28 US disclosed
US-7105680-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2006-09-12 US disclosed