SCHEMBL8987667

SCHEMBL8987667

CN(C)CCCNC(=O)c1ccc2[nH]c(-c3ccc(NC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.49
MMP13 P45452 5/20 0.49
MMP9 P14780 4/20 0.46
MMP8 P22894 4/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PRSS12 P56730 2/20 0.43
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC1 Q13547 1/20 0.41
NCOR1 O75376 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40

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
Hydrochloric Acid SCHEMBL7474731 0.88 HRAS (0.43) MMP2MMP13CA12CA1CA2
Hydrochloric Acid SCHEMBL7461628 0.79 HRAS (0.54) MMP2MMP13CA12CA1CA2
Hydrochloric Acid SCHEMBL7476664 0.78 HRAS (0.43) MMP2MMP13MMP9MMP8CA12
Hydrochloric Acid SCHEMBL7471854 0.78 HRAS (0.44) MMP2MMP13CA12CA1CA2
Hydrochloric Acid SCHEMBL7470484 0.78 HRAS (0.47) HDAC6HDAC2HDAC8HDAC1SIRT2
SCHEMBL8987632 0.77 KDM4E (0.49) PRSS12
Hydrochloric Acid SCHEMBL7470261 0.76 HRAS (0.43) MMP2MMP13CA12CA1CA2
SCHEMBL21018440 0.76 KDM4E (0.54) PRSS12
SCHEMBL7472474 0.75 HRAS (0.42) PRSS12
Hydrochloric Acid SCHEMBL7465588 0.75 HRAS (0.46) CA12CA1CA2CA9PRSS12

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
EP-0719765-A2 Phenylbenzimidazole derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-03 EP disclosed