SCHEMBL6586935

SCHEMBL6586935

COc1cccc(-c2ccc(C3=CCNCC3)cc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
HTR2C P28335 7/20 0.49
SIGMAR1 Q99720 2/20 0.47
HTR6 P50406 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HTR1D P28221 1/20 0.46
MAPK1 P28482 1/20 0.46
BRCA1 P38398 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR7 P34969 1/20 0.46
TGFBR1 P36897 1/20 0.45

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
SCHEMBL7394377 0.88 HTR2C (0.60) QDPRCD274HTR2CSIGMAR1HTR6
SCHEMBL6587898 0.88 QDPR (0.60) QDPRCD274HTR2CSIGMAR1HTR6
Hydrochloric Acid SCHEMBL4789235 0.87 HTR2C (0.61) QDPRHTR2CSIGMAR1HTR6KDM4E
SCHEMBL6584948 0.83 SIGMAR1 (0.65) QDPRHTR2CSIGMAR1HTR6HTR7
SCHEMBL14704745 0.80 QDPR (0.51) QDPRCD274HTR2CSIGMAR1HTR6
SCHEMBL6161994 0.80 HTR6 (0.53) QDPRHTR2CSIGMAR1HTR6KDM4E
SCHEMBL6585457 0.80 HTR2C (0.76) QDPRHTR2CSIGMAR1
SCHEMBL16874873 0.79 HTR6 (0.61) QDPRHTR2CHTR6KDM4EMEN1
Hydrochloric Acid SCHEMBL16874840 0.79 HTR6 (0.61) QDPRHTR2CHTR6KDM4EMEN1
SCHEMBL6590672 0.78 QDPR (0.54) QDPRMMP2MMP3CD274HTR2C

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
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