SCHEMBL29979101

SCHEMBL29979101

O=c1[nH]c2ccccc2cc1/C=C/c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 2/20 0.57
RAB9A P51151 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
DAO P14920 1/20 0.53
DDO Q99489 1/20 0.53
PADI4 Q9UM07 3/20 0.47
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
BRD4 O60885 1/20 0.45
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CHEK1 O14757 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL15796663 0.88 DPYD (0.53) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL31018784 0.76 DAO (0.51) KDM4EMAPTDAODDOPADI4
SCHEMBL11295411 0.76 DAO (0.51) GAAKDM4EMEN1NPC1MAPT
SCHEMBL29855487 0.74 CYP2A6 (0.58) KDM4ENPC1MAPTRAB9ADAO
SCHEMBL98219 0.74 CYP2A6 (0.58) KDM4ENPC1MAPTRAB9ADAO
SCHEMBL20574616 0.73 MAPT (0.54) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL20574617 0.73 MAPT (0.54) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL31018786 0.73 DAO (0.55) KDM4ENPC1MAPTRAB9ADAO
SCHEMBL8604094 0.73 DAO (0.55) KDM4ENPC1MAPTRAB9ADAO
SCHEMBL27889178 0.72 TRPA1 (0.47) DAODDODPYD

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
CN-115160237-A Fluorescent probe for detecting hydrogen sulfide and preparation method and application thereof 王威 2022-10-11 CN claimed
CN-115160237-A Fluorescent probe for detecting hydrogen sulfide and preparation method and application thereof 王威 2022-10-11 CN disclosed
CN-115160237-A Fluorescent probe for detecting hydrogen sulfide and preparation method and application thereof 王威 2022-10-11 CN disclosed