SCHEMBL29977618

SCHEMBL29977618

NCc1cccc(CN2CCN(C(=O)O)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.64
NCF1 P14598 1/20 0.59
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
FAAH O00519 6/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL4828824 0.86 LMNA (0.56) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3948130 0.85 LMNA (0.55) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL4711940 0.84 LMNA (0.54) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2925701 0.83 ALDH1A1 (0.59) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2850013 0.82 ALDH1A1 (0.70) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL6865542 0.82 ALDH1A1 (0.72) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL4838001 0.82 CYP2D6 (0.73) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3047497 0.82 KDM4E (0.71) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2930424 0.82 SIGMAR1 (0.73) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3093924 0.82 FAAH (0.70) SMN1; SMN2KMT2AMEN1TSHRFAAH

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
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed