SCHEMBL6493316

SCHEMBL6493316

Cn1c(C(C)(F)F)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
ALOX15 P16050 1/20 0.50
ATM Q13315 1/20 0.50
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
ACSS2 Q9NR19 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL6479789 0.89 SMN1; SMN2 (0.59) SMN1; SMN2ALOX15ATMMAPK1KDM4E
SCHEMBL5851401 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ALOX15ATMMAPK1KDM4E
SCHEMBL30034162 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ALOX15ATMMAPK1KDM4E
SCHEMBL6479700 0.85 SMN1; SMN2 (0.58) SMN1; SMN2ALOX15ATMKDM4EALDH1A1
SCHEMBL18784479 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALOX15ATMMAPK1KDM4E
SCHEMBL38664142 0.81 ALOX15 (0.57) SMN1; SMN2ALOX15ATMMAPK1KDM4E
SCHEMBL10969560 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALOX15ATMKDM4EALDH1A1
SCHEMBL6493311 0.80 MAPK1 (0.44) SMN1; SMN2ATMMAPK1KDM4EALDH1A1
SCHEMBL8799913 0.79 SMN1; SMN2 (0.60) SMN1; SMN2ALOX15ATMKDM4EALDH1A1
SCHEMBL13104750 0.79 SMN1; SMN2 (0.52) SMN1; SMN2ALOX15ATMKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161940-A1 APOPTOSIS RELATED PROTEIN IN THE TGF-BETA SIGNALING PATHWAY (ARTS) MIMETIC COMPOUNDS, COMPOSITIONS, METHODS AND USES THEREOF IN INDUCTION OF APOPTOSIS CARMEL-HAIFA UNIVERSITY ECONOMIC CORPORATION LTD. (IL) 2023-08-31 WO disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed