SCHEMBL30845858

SCHEMBL30845858

CC(C)N1CCn2cc(C(N)=O)nc2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
HRH3 Q9Y5N1 6/20 0.37
HDAC6 Q9UBN7 2/20 0.36
LTA4H P09960 1/20 0.36
PARP1 P09874 1/20 0.34
MGLL Q99685 2/20 0.34
GRM2 Q14416 2/20 0.33
KCNH2 Q12809 1/20 0.33
SMO Q99835 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
POLB P06746 1/20 0.33
MAP3K14 Q99558 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
SCHEMBL21001703 0.87 HDAC6 (0.38) HRH3HDAC6MGLLKCNH2SMO
SCHEMBL31125632 0.80 NAMPT (0.44) NAMPTHDAC6LTA4HGRM2MEN1
SCHEMBL21033498 0.80 SMO (0.47) SMOKMT2AALDH1A1POLB
SCHEMBL16387227 0.74 P2RX7 (0.40) HRH3ALDH1A1
SCHEMBL26021697 0.71 P2RX7 (0.40) ALDH1A1
SCHEMBL4090031 0.70 HDAC1 (0.50) NAMPTLTA4HKMT2AALDH1A1MAPT
SCHEMBL15933428 0.69 HDAC2 (0.51) NAMPTLTA4HMGLLGRM2
SCHEMBL30845765 0.69 GRM2 (0.35) NAMPTLTA4HGRM2ALDH1A1MAPT
SCHEMBL31125699 0.68 HDAC6 (0.36) HRH3HDAC6PARP1KCNH2
SCHEMBL3308376 0.66 HDAC6 (0.41) NAMPTHDAC6MGLLSMOALDH1A1

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
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN disclosed