SCHEMBL9325833

SCHEMBL9325833

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ADRB2 P07550 1/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.34
CRHR1 P34998 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DHFR P00374 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
FFAR1 O14842 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
SCHEMBL10555123 0.86 KMT2A (0.38) KMT2AALDH1A1HPGDADRB2HTT
SCHEMBL9325367 0.85 KMT2A (0.36) KMT2AALDH1A1HPGDADRB2HTT
SCHEMBL9324078 0.81 ALDH1A1 (0.34) KMT2AALDH1A1HTTNPC1RAB9A
SCHEMBL10552305 0.71 KMT2A (0.37) KMT2AALDH1A1HPGDADRB2HTT
SCHEMBL10549951 0.69 ALDH1A1 (0.38) KMT2AALDH1A1HPGDHTTRAB9A
SCHEMBL10553687 0.68 POLB (0.44) KMT2AALDH1A1ADRB2NPC1RAB9A
SCHEMBL9325343 0.68 POLB (0.37) ALDH1A1HTTNPC1RAB9ALMNA
SCHEMBL10552159 0.68 HSP90AA1 (0.40) KMT2AALDH1A1HTTNPC1RAB9A
SCHEMBL9325882 0.66 TSHR (0.45) ALDH1A1HPGDADRB2HTTLMNA
SCHEMBL13475542 0.66 TSHR (0.47) ALDH1A1HPGDADRB2HTTLMNA

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