SCHEMBL10679481

SCHEMBL10679481

CC(C)c1ccc2cc(CCN)oc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
GAA P10253 3/20 0.35
HTT P42858 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL22932538 0.78 LOXL2 (0.37) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL10676305 0.77 KDM4E (0.40) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL19601690 0.75 TAAR1 (0.46) HTR1DNPC1RAB9AALDH1A1KDM4E
SCHEMBL14756356 0.75 LOXL2 (0.42) LOXL2HDAC6PRMT1F2F10
SCHEMBL10674648 0.75 LOXL2 (0.42) MAPTLOXL2LMNAALOX15PRMT1
SCHEMBL14756189 0.75 LOXL2 (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL10670572 0.75 LOXL2 (0.42) RAB9AALDH1A1KDM4EMEN1KMT2A
SCHEMBL19604095 0.74 LOXL2 (0.39) ALDH1A1KDM4ETP53MAPTHSD17B10
SCHEMBL14015640 0.73 NPC1 (0.58) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL9826066 0.73 NPC1 (0.45) NPC1RAB9AALDH1A1KDM4EMEN1

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
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP disclosed