SCHEMBL6588098

SCHEMBL6588098

COc1cc(Br)ccc1[N+]#N.F[B-](F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NQO2 P16083 1/20 0.35
PYCR1 P32322 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL14247916 0.86 ALDH1A1 (0.36) KDM4ETDP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6297073 0.81 CA12 (0.48) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL10564377 0.81 CA12 (0.48) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14317575 0.78 TDP1 (0.39) KDM4ETDP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6587771 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10837346 0.74 ALDH1A1 (0.50) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11303180 0.74 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNACYP2C9TSHR
SCHEMBL10511000 0.74 SIRT6 (0.45) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL2687596 0.74 CA1 (0.46) TDP1SMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL1856962 0.74 ALDH1A1 (0.48) KDM4ETDP1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed