SCHEMBL22265437

SCHEMBL22265437

O=C(NCc1ccccc1)c1ccn(C2CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.50
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
GLA P06280 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL22578811 0.78 ACKR3 (0.41) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL21209601 0.75 ACKR3 (0.41) ALDH1A1HPGDNPC1RAB9A
SCHEMBL21210843 0.75 KDM4E (0.45) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL27656429 0.74 MMP13 (0.51) MMP13CACNA1GCACNA1HALDH1A1HPGD
SCHEMBL22660481 0.73 PRKAB2 (0.52) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL21210841 0.71 PSMB8 (0.43) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL21753196 0.70 HPGD (0.79) MMP13ALDH1A1HPGDGLACYP1A2
SCHEMBL21756301 0.69 PDK1 (0.35)
SCHEMBL6378549 0.69 ALDH1A1 (0.62) MMP13CACNA1GCACNA1HALDH1A1HPGD
SCHEMBL22660699 0.69 MGLL (0.47) ALDH1A1KDM4EHSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914068-A1 COMPOSITIONS FOR TREATING CITRUS DISEASE AND PROMOTING YIELD INCREASE IN ROW CROPS Spogen Biotech Inc. (US) 2021-12-01 EP disclosed
WO-2020154387-A1 COMPOSITIONS FOR TREATING CITRUS DISEASE AND PROMOTING YIELD INCREASE IN ROW CROPS SPOGEN BIOTECH INC. (US) 2020-07-30 WO disclosed