SCHEMBL9033357

SCHEMBL9033357

COc1ccc(-c2cc(C3=C(c4cc(-c5ccncc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.39
MAPK14 Q16539 2/20 0.39
APP P05067 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRA5 P31644 2/20 0.38
KDM4E B2RXH2 3/20 0.38
USP2 O75604 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 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
SCHEMBL2990966 0.92 APP (0.45) APPNPC1RAB9AKMT2ATDP1
SCHEMBL2635386 0.90 CDC7 (0.42) MAPK14
SCHEMBL20089651 0.89 APP (0.41) APPNPC1RAB9AKMT2ATDP1
SCHEMBL15926425 0.86 APP (0.40) APPNPC1RAB9AKMT2ATDP1
SCHEMBL13163334 0.86 APP (0.43) APPNPC1RAB9AKMT2ATDP1
SCHEMBL9034401 0.85 GSK3B (0.41) MAPK14APP
SCHEMBL9034121 0.85 APP (0.41) APPNPC1RAB9AKMT2ATDP1
SCHEMBL13164320 0.82 BACE1 (0.44) APPNPC1RAB9AKMT2AKDM4E
SCHEMBL9113239 0.82 CDC7 (0.39) MAPK14
SCHEMBL3858306 0.81 APP (0.35) APPNPC1RAB9AKMT2ATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995007275-A1 PHOTOCHROMIC COMPOUNDS, METHODS AND INTERMEDIATES FOR PRODUCING THEM AND THEIR USE CIBA-GEIGY AG (CH) 1995-03-16 WO claimed
EP-0717740-A1 PHOTOCHROMIC COMPOUNDS, METHODS AND INTERMEDIATES FOR PRODUCING THEM AND THEIR USE Ciba SC Holding AG (CH) 1996-06-26 EP disclosed
WO-1995007275-A1 PHOTOCHROMIC COMPOUNDS, METHODS AND INTERMEDIATES FOR PRODUCING THEM AND THEIR USE CIBA-GEIGY AG (CH) 1995-03-16 WO disclosed