SCHEMBL1042507

SCHEMBL1042507

Cc1csc(C2CCNCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
BAZ2A Q9UIF9 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OGA O60502 1/20 0.41
AOC3 Q16853 1/20 0.40
TGFBR1 P36897 1/20 0.39
CHRM4 P08173 1/20 0.38
HTR2C P28335 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOS1 P29475 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRB2 P47870 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 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
Hydrochloric Acid SCHEMBL17541611 0.98 HPGDS (0.46) HPGDSBAZ2AMEN1KMT2AOGA
SCHEMBL2635946 0.89 BAZ2A (0.47) HPGDSBAZ2AMEN1KMT2AOGA
SCHEMBL6840373 0.86
Ammonia Solution, Strong SCHEMBL27924535 0.84 OGA (0.45) OGANPC1RAB9ANOS1SMN1; SMN2
SCHEMBL12791651 0.82 OGA (0.44) OGATGFBR1NPC1RAB9ANOS1
SCHEMBL10217223 0.81 SSTR4 (0.39) BAZ2AOGARAB9ANOS1SMN1; SMN2
SCHEMBL5291304 0.81 RAB9A (0.46) OGATGFBR1CHRM4NPC1RAB9A
SCHEMBL24367006 0.80 BAZ2A (0.49) BAZ2A
SCHEMBL3553310 0.78 OGA (0.44) MEN1KMT2AOGATGFBR1CHRM4
SCHEMBL5458440 0.78 HPGDS (0.47) HPGDSBAZ2AMEN1KMT2AAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022271562-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-12-29 WO disclosed
WO-2022081912-A2 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-04-21 WO disclosed
EP-2272846-A1 Thiazolylpiperidine derivatives as fungicide Bayer CropScience AG (DE) 2011-01-12 EP disclosed