SCHEMBL16450356

SCHEMBL16450356

CNC(=N)N(C)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
HSD17B1 P14061 11/20 0.45
HSD17B2 P37059 11/20 0.45
LMNA P02545 2/20 0.42
NR1I2 O75469 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
CYP51A1 Q16850 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SLC6A2 P23975 1/20 0.40

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
SCHEMBL11836292 0.86 SIGMAR1 (0.47) SIGMAR1HSD17B1HSD17B2LMNANR1I2
SCHEMBL12164030 0.79 LMNA (0.65) SIGMAR1HSD17B1HSD17B2LMNANR1I2
SCHEMBL7641359 0.78 HTR3E (0.66) SIGMAR1HSD17B1HSD17B2LMNANR1I2
SCHEMBL6724109 0.76 SIGMAR1 (0.52) SIGMAR1LMNANR1I2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7411770 0.75 SIGMAR1 (0.51) SIGMAR1LMNANR1I2CYP1A2CYP3A4
SCHEMBL8204758 0.74 SIGMAR1 (0.43) SIGMAR1HSD17B1HSD17B2LMNANR1I2
SCHEMBL6720809 0.74 SIGMAR1 (0.44) SIGMAR1MAPT
SCHEMBL6716723 0.73 HDAC4 (0.43) SIGMAR1CYP3A4MAPTCYP2C9HTR3E
SCHEMBL6720760 0.73 SIGMAR1 (0.43) SIGMAR1HSD17B1HSD17B2LMNANR1I2
SCHEMBL11257031 0.72 SCN4A (0.37) SIGMAR1LMNACYP1A2MAPTHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015021092-A1 POLYCONJUGATES FOR DELIVERY OF RNAI TRIGGERS TO TUMOR CELLS IN VIVO ARROWHEAD RESEARCH CORPORATION (US) 2015-02-12 WO disclosed