SCHEMBL8665865

SCHEMBL8665865

COC(=O)c1ccc(C2=NC(c3ccc(Cl)cc3Cl)(C3(c4ccc(Cl)cc4Cl)N=C(c4ccc(C(=O)OC)cc4)C(c4ccc(C(=O)OC)cc4)=N3)N=C2c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.48
KDR P35968 2/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
RHEB Q15382 1/20 0.43
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NLRP3 Q96P20 1/20 0.40
MAPT P10636 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALPL P05186 2/20 0.40
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
ATM Q13315 1/20 0.39
CNR1 P21554 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
SCHEMBL2494927 0.86 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2ALPL
SCHEMBL8666424 0.84 RHEB (0.44) MAP2K4KDRFLT1FLT4RHEB
SCHEMBL8078179 0.84 TSHR (0.44) KDRRHEBALDH1A1MAPTNPC1
SCHEMBL2494847 0.83 KMT2A (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL11278246 0.80 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL1868574 0.75 MGAM (0.42) MAP2K4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4300304 0.75 SRD5A2 (0.60) MAP2K4KDRFLT1FLT4RHEB
SCHEMBL2493563 0.75 TSHR (0.45) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL8663910 0.74 TSHR (0.44) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL2497787 0.73 EGFR (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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-5792589-A ORGANIC BINDER; OPTICALLY CROSSLINKABLE COMPOUND; RADICAL-GENERATING AGENT: 2,4,5-TRIARYL IMIDAZOLE DIMER, AMINO-GROUP CONTAINING BENZOPHENONE PHOTOSENSITIZER, A THIOL COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-08-11 US disclosed