SCHEMBL8993265

SCHEMBL8993265

Nc1c(C(F)(F)F)cc(-c2cc(C(F)(F)F)c(N)c(C(F)(F)F)c2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KIF11 P52732 3/20 0.40
PIK3CD O00329 1/20 0.37
MPL P40238 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 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
SCHEMBL8922243 0.88 GLA (0.35) TSHRGLAPOLBGAAKIF11
SCHEMBL28945538 0.86 KIF11 (0.60) TSHRGLAPOLBGAAKIF11
SCHEMBL28674664 0.86 KIF11 (0.46) TSHRGLAPOLBGAAKIF11
SCHEMBL5669382 0.83 HSD17B1 (0.36) TSHRGLAPOLBGAAKIF11
SCHEMBL5987423 0.82 KDM4E (0.33) TSHRGLAPOLBGAAKIF11
SCHEMBL11844970 0.82 GAA (0.54) TSHRGLAPOLBGAAKIF11
SCHEMBL17563226 0.81 KIF11 (0.37) TSHRGLAPOLBGAAKIF11
SCHEMBL394903 0.80 TSHR (0.41) TSHRGLAPOLBGAAKIF11
SCHEMBL14601908 0.78 SMN1; SMN2 (0.45) TSHRGLAPOLBGAAKIF11
SCHEMBL10215552 0.76 ACHE (0.45) GAAKIF11ALDH1A1CYP3A4TDP1

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
EP-0450926-B1 Fluorine-containing polyimides and precursors thereof HITACHI CHEMICAL CO LTD (JP) 1996-07-31 EP disclosed
EP-0450926-A2 Fluorine-containing polyimides and precursors thereof Hitachi Chemical Co., Ltd. (JP) 1991-10-09 EP disclosed