SCHEMBL7945324

SCHEMBL7945324

CC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)NC(C)(C)C3)nc(NCCCNCCNCCCN)n2)CC(C)(C)N1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CASP2 P42575 2/20 0.32
F13A1 P00488 2/20 0.32
CYP1A2 P05177 2/20 0.32
ALOX15 P16050 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
THPO P40225 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 2/20 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
SCHEMBL11250098 0.89 TSHR (0.33) TSHR
SCHEMBL9614408 0.88
SCHEMBL11168811 0.87 TSHR (0.36) KMT2ATSHRLMNA
SCHEMBL9440098 0.86
SCHEMBL9367808 0.86 TSHR (0.36) KMT2ATSHRLMNA
SCHEMBL28706950 0.84 CA12 (0.31) CA12CA2CA9CASP2F13A1
SCHEMBL11203654 0.83 HTR7 (0.34) MEN1KMT2ATSHRMAPTLMNA
SCHEMBL711949 0.81 KMT2A (0.43) CA12CA2CA9CA14MEN1
SCHEMBL9861681 0.81 KCNH3 (0.38) CA12CA2CA9CA14MEN1
SCHEMBL9249642 0.81 TSHR (0.36) KMT2ATSHR

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-6248817-B1 Infrared absorber and agricultural film FUJI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-06-19 US disclosed