SCHEMBL19983058

SCHEMBL19983058

CC(=O)NC1=CC=C(C)CC=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 3/20 0.31
GAA P10253 2/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
CA12 O43570 1/20 0.31
BRD4 O60885 1/20 0.31
NR1I2 O75469 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MB P02144 1/20 0.31
CYP1A1 P04798 1/20 0.31

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
SCHEMBL20429846 0.81 EPHX2 (0.33) TDP1ALDH1A1HSD17B10GAAPKM
SCHEMBL16312906 0.74
SCHEMBL7704328 0.73 LMNA (0.36) TDP1ALDH1A1HPGDHSD17B10GAA
SCHEMBL19982850 0.73 SMN1; SMN2 (0.33) TDP1ALDH1A1HPGDHSD17B10GAA
SCHEMBL19669627 0.70 SMN1; SMN2 (0.37) TDP1ALDH1A1HPGDHSD17B10GAA
SCHEMBL5960697 0.67 SMN1; SMN2 (0.34) TDP1ALDH1A1HPGDHSD17B10GAA
SCHEMBL2756716 0.64 TDP1 (0.39) TDP1ALDH1A1HPGDHSD17B10GAA
SCHEMBL8115837 0.64 SMN1; SMN2 (0.35) TDP1ALDH1A1HPGDHSD17B10GAA
SCHEMBL14539914 0.64 HSD17B10 (0.32) TDP1ALDH1A1HPGDHSD17B10GAA
SCHEMBL19450903 0.64 PTK2 (0.37) TDP1ALDH1A1HSD17B10GAAPKM

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
WO-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 WO disclosed
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed