SCHEMBL7224892

SCHEMBL7224892

O=C(O)C(CCn1nnc2ccccc2c1=O)CSc1ccc(C2=CN=CN(O)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.57
MMP3 P08254 9/20 0.57
MMP9 P14780 9/20 0.57
MMP13 P45452 9/20 0.57
MMP1 P03956 6/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7229291 0.82 MMP2 (0.81) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7222383 0.81 MMP2 (0.65) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7230785 0.80 MMP2 (0.65) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7222943 0.79 MMP2 (0.64) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7232020 0.79 MMP2 (0.63) MMP2MMP3MMP9MMP13MMP1
Trifluoroacetic Acid SCHEMBL7224205 0.75 MMP2 (0.58) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7229700 0.72 MMP2 (1.00) MMP2MMP3MMP9MMP13MMP1
SCHEMBL874192 0.72 MMP2 (0.56) MMP2MMP3MMP9MMP13MMP1
SCHEMBL18787411 0.69 KMT2A (0.67) MMP2MMP3MMP9MMP13MMP1
SCHEMBL12472773 0.69 MMP2 (0.53) MMP2MMP3MMP9MMP13MMP1

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
US-6605604-B1 Tumour necrosis factor alpha release inhibitors; efficiency treatment of cancers, rheumatic diseases, arthritis, ulcers, atherosclerosis, asthma LES LABORATOIRES SERVIER (FR) 2003-08-12 US disclosed