SCHEMBL13604226

SCHEMBL13604226

COC(=O)c1ccccc1CCc1ccnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPK8 P45983 3/20 0.44
▸ MAPK9 P45984 3/20 0.44
▸ MAPK10 P53779 3/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ FLT1 P17948 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ MAP2K1 Q02750 1/20 0.43
▸ NSD2 O96028 1/20 0.42

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
SCHEMBL13604229 0.82 LOXL2 (0.49) ALDH1A1MEN1KMT2ALOXL2CYP1A2
SCHEMBL10360804 0.82 ALDH1A1 (0.77) ALDH1A1LMNAKDM4EKMT2APOLB
SCHEMBL1347417 0.81 KMT2A (0.48) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL827693 0.81 PSMD14 (0.57) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL4059940 0.78 KDM4E (0.50) ALDH1A1KDM4ELOXL2CYP1A2MTNR1A
SCHEMBL827213 0.76 KDM4E (0.59) KDM4EMEN1KMT2AMAPK8MAPK9
SCHEMBL993441 0.75 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EKMT2APOLB
SCHEMBL29396988 0.75 KDM4E (0.54) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL15452580 0.75 KDM4E (0.54) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL7824800 0.75 MAPT (0.49) ALDH1A1LMNAKDM4EMEN1KMT2A

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
EP-2128156-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2009-12-02 — — EP disclosed
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