SCHEMBL28037693

SCHEMBL28037693

CC(=O)NSc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.43
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
TEAD2 Q15562 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
S100A4 P26447 1/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.40
CNR1 P21554 1/20 0.40
HTT P42858 3/20 0.39

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
SCHEMBL7536726 0.81 HPGD (0.35) HSD17B10MAPTL3MBTL1TSHRSMN1; SMN2
SCHEMBL6916759 0.81 CYP2C9 (0.48) TEAD1YAP1TEAD4TEAD2CYP2C9
SCHEMBL7536730 0.81 ALDH1A1 (0.48) HSD17B10MAPTL3MBTL1TSHRNPC1
SCHEMBL19311702 0.81 TDP1 (0.48) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL11409862 0.80 ALDH1A1 (0.53) TEAD1YAP1TEAD4TEAD2CYP2C9
SCHEMBL10431593 0.78 MTNR1A (0.48) HSD17B10MAPTL3MBTL1EPHX1TSHR
SCHEMBL10679757 0.77 MEN1 (0.42) CYP2C9CYP2C19MAPTNPC1RAB9A
SCHEMBL8335959 0.76 MTNR1A (0.54) MAPTNPC1RAB9ASMN1; SMN2CES2
Hydrochloric Acid SCHEMBL28845768 0.75 MTNR1A (0.47) HSD17B10MAPTL3MBTL1EPHX1TSHR
SCHEMBL10760727 0.75 MTNR1A (0.31) HSD17B10L3MBTL1SMN1; SMN2HPGDHTT

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
CN-105060279-B Three-dimensional porous nitrogen-doped graphene prepared by a kind of Graft Method and preparation method 青岛大学 2016-08-24 CN claimed
CN-105060279-A Grafting method for preparing three-dimensional porous nitrogen-doped graphene UNIV QINGDAO 2015-11-18 CN claimed
CN-105060279-B Three-dimensional porous nitrogen-doped graphene prepared by a kind of Graft Method and preparation method 青岛大学 2016-08-24 CN disclosed
CN-105060279-A Grafting method for preparing three-dimensional porous nitrogen-doped graphene UNIV QINGDAO 2015-11-18 CN disclosed