SCHEMBL27361633

SCHEMBL27361633

CCNC(=O)CCc1cc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
FAAH O00519 1/20 0.37
TSHR P16473 2/20 0.37
MPO P05164 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL18592788 0.83 RAB9A (0.40) MAPTSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL7697974 0.75 KEAP1 (0.42) L3MBTL1
SCHEMBL344424 0.74
SCHEMBL2561694 0.74 CAPN1 (0.46) MAPTSMN1; SMN2RAB9ALMNATP53
SCHEMBL21576133 0.73 CYP1A2 (0.34) SMN1; SMN2HPGDKDM4E
SCHEMBL19051511 0.73 LMNA (0.50) SMN1; SMN2LMNATSHR
Phosphoric Acid SCHEMBL2022831 0.73 BACE1 (0.32) MAPTSMN1; SMN2LMNATSHRKDM4E
SCHEMBL5160608 0.72 RAB9A (0.39) MAPTSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL14233697 0.72 NPSR1 (0.50) MAPTSMN1; SMN2HPGDLMNATP53
SCHEMBL8606227 0.72 ALOX5 (0.43)

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-2024050433-A1 ALLOSTERIC MODULATORS OF ANDROGEN RECEPTOR COACTIVATOR RECRUITMENT FOR CRPC THERAPY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-03-07 WO disclosed