SCHEMBL22897987

SCHEMBL22897987

N=C1SCC(=O)N1c1ccccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
CYP1A2 P05177 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MGLL Q99685 1/20 0.51
NR1H2 P55055 1/20 0.45
ALDH1A1 P00352 6/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.39
OPRK1 P41145 2/20 0.38
MAPT P10636 1/20 0.38
CCR6 P51684 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL29559112 1.00 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL29559757 0.83 KMT2A (0.47) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL22897955 0.83 KMT2A (0.47) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL22897997 0.78 KMT2A (0.56) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL6015479 0.76 KMT2A (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL24534298 0.75 POLB (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL30514194 0.75 POLB (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL29559480 0.75 ALDH1A1 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL22897831 0.75 ALDH1A1 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7154016 0.74 MGLL (0.63) MEN1KMT2ANPSR1MGLLNR1H2

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
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed