SCHEMBL9325367

SCHEMBL9325367

CCC(COc1cc(C)ccc1C)Nc1nc(N)nc(SC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CRHR1 P34998 1/20 0.35
ADRB2 P07550 1/20 0.34
LMNA P02545 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HSP90AB1 P08238 1/20 0.31
TSHR P16473 2/20 0.31
DHFR P00374 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL10552305 0.87 KMT2A (0.37) KMT2AALDH1A1HPGDADRB2LMNA
SCHEMBL9325833 0.85 KMT2A (0.37) KMT2AALDH1A1HPGDCRHR1ADRB2
SCHEMBL10554797 0.82 HSP90AB1 (0.34) KMT2ALMNAHSP90AA1HTTHSP90AB1
SCHEMBL9326258 0.71 LMNA (0.36) KMT2ALMNAL3MBTL1HSP90AA1HTT
SCHEMBL10362549 0.71 PFKFB3 (0.39) HSP90AA1TSHRDHFRSMN1; SMN2HSD17B10
SCHEMBL10555123 0.71 KMT2A (0.38) KMT2AALDH1A1HPGDADRB2LMNA
SCHEMBL10554973 0.70 LMNA (0.42) KMT2AADRB2LMNANPC1RAB9A
SCHEMBL10360991 0.70 TAS1R3 (0.39) ALDH1A1HSP90AA1HTTNPC1RAB9A
SCHEMBL10362526 0.69 HTR7 (0.39) HSP90AA1TSHRDHFR
SCHEMBL10362479 0.68 HTR7 (0.40) LMNAHTTTSHRSMN1; SMN2DCK

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
EP-0273328-B1 Triazine derivatives and herbicides containing said derivatives IDEMITSU KOSAN CO (JP) 1994-03-09 EP disclosed
US-4844731-A HERBICIDES FOR RICE PADDYS IDEMITSU COMPANY CO., LTD. (JP) 1989-07-04 US disclosed
EP-0273328-A2 Triazine derivatives and herbicides containing said derivatives IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-07-06 EP disclosed