SCHEMBL29520673

SCHEMBL29520673

CCC(=O)N1CCCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.68
ALDH1A1 P00352 4/20 0.67
TSHR P16473 3/20 0.67
LMNA P02545 1/20 0.67
MAPK1 P28482 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
KMT2A Q03164 3/20 0.65
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.63
PKM P14618 1/20 0.63
GAA P10253 1/20 0.62
MEN1 O00255 2/20 0.61
GRM7 Q14831 2/20 0.60

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
SCHEMBL3660180 1.00 NOTUM (0.69) NOTUMSMN1; SMN2ALDH1A1TSHRLMNA
Hydrochloric Acid SCHEMBL29520826 0.98 NOTUM (0.67) NOTUMSMN1; SMN2ALDH1A1TSHRLMNA
Hydrochloric Acid SCHEMBL29521106 0.98 NOTUM (0.67) NOTUMSMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL24925819 0.95 ALDH1A1 (0.62) NOTUMSMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL5006023 0.90 TSHR (0.75) NOTUMSMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL711283 0.88 TSHR (0.67) NOTUMSMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL29522633 0.88 TSHR (0.67) NOTUMSMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL1545217 0.85 SMN1; SMN2 (0.70) NOTUMSMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL9278163 0.84 SMN1; SMN2 (0.73) NOTUMSMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL3089154 0.84 SMN1; SMN2 (0.68) NOTUMSMN1; SMN2ALDH1A1TSHRMAPK1

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-111936468-B Compounds with anticancer activity 协和麒麟株式会社 2024-03-08 CN disclosed
CN-114502534-A BET degradant 协和麒麟株式会社 2022-05-13 CN disclosed