SCHEMBL7182065

SCHEMBL7182065

CC(C)(c1ccc(N)cc1)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
MAOB P27338 3/20 0.39
PTGS1 P23219 2/20 0.38
NR2E1 Q9Y466 1/20 0.37
HPGD P15428 2/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
IKBKB O14920 1/20 0.37
CYP3A4 P08684 1/20 0.35
AR P10275 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR6 P50406 1/20 0.35
ESRRG P62508 1/20 0.35

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
SCHEMBL7189481 0.90 TSHR (0.46) KIF11TSHRMAPK1NR2E1ALDH1A1
SCHEMBL27153247 0.86 ALDH1A1 (0.43) KIF11TSHRMAPK1HPGDESR1
SCHEMBL10631366 0.85 ALDH1A1 (0.46) KIF11TSHRMAPK1HPGDESR1
SCHEMBL7192380 0.81 TSHR (0.66) KIF11TSHRMAPK1MAOBPTGS1
SCHEMBL7186572 0.81 FFAR4 (0.41) KIF11TSHRMAPK1NR2E1HPGD
SCHEMBL7183524 0.79 TSHR (0.47) KIF11TSHRMAPK1NR2E1HPGD
SCHEMBL130383 0.78 TSHR (0.56) KIF11TSHRMAPK1NR2E1ALDH1A1
SCHEMBL108051 0.78 CYP3A4 (0.52) KIF11TSHRMAPK1HPGDESR1
SCHEMBL1729158 0.78 CYP3A4 (0.52) KIF11TSHRMAPK1HPGDESR1
SCHEMBL126726 0.78 CYP3A4 (0.52) KIF11TSHRMAPK1HPGDESR1

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-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed