SCHEMBL6809997

SCHEMBL6809997

O=[C]Cc1ccc(CCc2ccnc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
CYP1A2 P05177 1/20 0.40
NCF1 P14598 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
FERMT2 Q96AC1 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
FLT1 P17948 2/20 0.37
KDR P35968 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 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
SCHEMBL30746358 0.82 LOXL2 (0.58) LOXL2CYP1A2NCF1KDM4EHTR1A
SCHEMBL10483392 0.82 LOXL2 (0.58) LOXL2CYP1A2NCF1KDM4EHTR1A
SCHEMBL8688643 0.82 LOXL2 (0.58) LOXL2CYP1A2NCF1KDM4EHTR1A
SCHEMBL6810574 0.81 MMP13 (0.44) LOXL2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL8567412 0.79 LOXL2 (0.55) LOXL2CYP1A2NCF1KDM4EHTR1A
SCHEMBL7762223 0.79 LOXL2 (0.55) LOXL2CYP1A2NCF1KDM4EHTR1A
SCHEMBL6805411 0.75 CYP1A2 (0.49) CYP1A2NCF1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6966651 0.73 LOXL2 (0.60) LOXL2CYP1A2NCF1KDM4EHTR1A
SCHEMBL6223283 0.73 LOXL2 (0.71) LOXL2CYP1A2NCF1KDM4EHTR1A
SCHEMBL7512307 0.72 LOXL2 (0.55) LOXL2CYP1A2NCF1KDM4EHTR1A

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
US-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 WO disclosed