SCHEMBL17028874

SCHEMBL17028874

c1cc(-c2cncs2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.37
DYRK1A Q13627 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
IMPDH2 P12268 1/20 0.34
PIM1 P11309 3/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PLCG2 P16885 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8286025 0.71 KDM4E (0.59) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL3082762 0.69 NPC1 (0.42) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL571374 0.69 HDAC8 (0.50) KDM4ENPC1ALDH1A1MAPTDYRK1A
SCHEMBL3135899 0.69 KDM4E (0.62) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL4059081 0.68 CYP1A2 (0.57) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL8491506 0.67 KDM4E (0.39) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL5904803 0.67 DYRK1A (0.37) DYRK1AIMPDH2PIM1PRMT5WDR77
SCHEMBL2744787 0.65 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL27634717 0.65 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL31301177 0.65 KDM4E (0.41) KDM4ENPC1RAB9AALDH1A1MAPT

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-2015124606-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2015-08-27 WO disclosed