SCHEMBL5599519

SCHEMBL5599519

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](Cl)(Cl)(Bc1ccccc1)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31

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
SCHEMBL5599863 0.85 HTR1A (0.30)
SCHEMBL139428 0.81 DHFR (0.34) DHFR
SCHEMBL7724265 0.80 KDM1A (0.32) DHFR
SCHEMBL5837290 0.80
SCHEMBL6679624 0.80
SCHEMBL5951278 0.79 CA12 (0.31) DHFR
SCHEMBL5854312 0.79 PTPN1 (0.32) DHFR
SCHEMBL339002 0.79 KDM1A (0.31) DHFR
SCHEMBL5836702 0.79 MTNR1A (0.33) DHFREDNRBEDNRA
SCHEMBL137885 0.79 ENPP3 (0.32) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214745-B2 Process for producing polymer DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2007-05-08 US disclosed
US-20050176901-A1 Process for producing polymer DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2005-08-11 US disclosed
EP-1428840-A1 PROCESS FOR PRODUCING POLYMER DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-06-16 EP disclosed