SCHEMBL8440333

SCHEMBL8440333

Brc1cc(-c2ncccn2)ccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
XDH P47989 2/20 0.47
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
CCR5 P51681 1/20 0.45
F2 P00734 1/20 0.45
PRMT5 O14744 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN1 P18031 1/20 0.43
ABCB1 P08183 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL322220 0.84 RAB9A (0.56) SMN1; SMN2RAB9ACCR5F2PRMT5
SCHEMBL1316322 0.81 FOLH1 (0.60) XDHALDH1A1KDM4E
SCHEMBL24244911 0.80 GSTP1 (0.54) SMN1; SMN2RAB9ALMNAPTPN1MAPT
SCHEMBL8426083 0.79 IGF1R (0.51) XDHLTA4HMAPK14ALDH1A1TSHR
SCHEMBL17488404 0.79 RAB9A (0.51) SMN1; SMN2RAB9ACCR5F2ALDH1A1
SCHEMBL30835101 0.77 RAB9A (0.59) SMN1; SMN2RAB9ACCR5ALDH1A1LMNA
SCHEMBL7898169 0.77 RAB9A (0.59) SMN1; SMN2RAB9ACCR5ALDH1A1LMNA
SCHEMBL19398436 0.77 F2 (0.49) SMN1; SMN2RAB9AF2KDM4ENPC1
SCHEMBL528926 0.76 RAB9A (0.61) SMN1; SMN2RAB9AF2KDM4ELMNA
SCHEMBL8982918 0.76 RAB9A (0.57) SMN1; SMN2RAB9ACCR5F2ALDH1A1

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-5872301-A Bifunctional precursors for the preparation of liquid crystals HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-16 US disclosed
US-5686608-A Process for cross-coupling aromatic boron compounds with aromatic halogen compounds or perfluoroalkylsulfonates HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-11 US disclosed