SCHEMBL30845765

SCHEMBL30845765

CC1CCn2cc(C(N)=O)nc2C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.35
NR1I2 O75469 1/20 0.35
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
CDK8 P49336 1/20 0.34
MAP3K14 Q99558 5/20 0.34
RIPK1 Q13546 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTPS1 P17812 1/20 0.33
LTA4H P09960 1/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL19876673 0.86 USP2 (0.40) LMNARIPK1SMN1; SMN2KDM4EMAPT
SCHEMBL30845763 0.79 ALDH1A1 (0.39) NAMPTALDH1A1LMNAMAP3K14RIPK1
SCHEMBL21033474 0.79 GABRA2 (0.42) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL30845770 0.76 HDAC2 (0.38) GRM2NR1I2NAMPTLMNAMAP3K14
SCHEMBL24493227 0.74 P2RX7 (0.33) ALDH1A1LMNASMN1; SMN2HPGDKDM4E
SCHEMBL31125632 0.72 NAMPT (0.44) GRM2NAMPTALDH1A1CDK8MAP3K14
SCHEMBL4090031 0.71 HDAC1 (0.50) NAMPTALDH1A1LMNASMN1; SMN2LTA4H
SCHEMBL15933428 0.70 HDAC2 (0.51) GRM2NAMPTLTA4H
SCHEMBL30845858 0.69 NAMPT (0.42) GRM2NAMPTALDH1A1MAP3K14LTA4H
SCHEMBL21570164 0.68 RIPK1 (0.34) LMNARIPK1HPGDALOX15

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-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 claimed
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