SCHEMBL8834875

SCHEMBL8834875

Nc1ccc(OC2(Oc3ccc(N)cc3C(F)(F)F)C=CC(c3ccccc3)C=C2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SRC P12931 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TLR9 Q9NR96 1/20 0.30

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
SCHEMBL5453330 0.77 FFAR4 (0.35)
SCHEMBL8741834 0.74 TACR1 (0.36) TSHR
SCHEMBL1119475 0.73 MAOA (0.41) GAATSHRMEN1ALDH1A1KMT2A
SCHEMBL1270081 0.72 MAOB (0.46) GAAPOLBTSHRKDM4EMEN1
SCHEMBL1119437 0.71 MAOB (0.41) GAAPOLBMEN1ALDH1A1KMT2A
SCHEMBL5381249 0.68 GAA (0.48) GAAGLAPOLBTSHRMEN1
SCHEMBL649658 0.68 TSHR (0.52) GAAGLAPOLBTSHRKDM4E
SCHEMBL8766226 0.68 TSHR (0.52) GAAGLAPOLBTSHRKDM4E
SCHEMBL29618172 0.68 TSHR (0.52) GAAGLAPOLBTSHRKDM4E
SCHEMBL28803835 0.67 TSHR (0.47) GAAGLAPOLBTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779314-A2 Polyimide optical waveguide structures AMOCO CORPORATION (US) 1997-06-18 EP disclosed
US-5268193-A Coating solution of polyamic acid on substrate; curing AMOCO CORPORATION (US) 1993-12-07 US disclosed
US-5206091-A Polyimides made from 2,2-bis/3,4-dicarboxyphenyl/propane or 2,2-bis/3,4-dicarboxyphenyl/hexafluoropropane and aromatic diamines AMOCO CORPORATION (US) 1993-04-27 US disclosed
EP-0373952-A2 Photosensitive resin composition and photosensitive element using the same Hitachi Chemical Co., Ltd. (JP) 1990-06-20 EP disclosed