SCHEMBL7003019

SCHEMBL7003019

O=C1C(c2cc3ccccc3[nH]2)=C(c2cc3ccccc3[nH]2)C(=O)N1CCBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
CHEK1 O14757 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
PRKD3 O94806 5/20 0.43
PRKCG P05129 5/20 0.43
PRKCB P05771 5/20 0.43
PRKCA P17252 5/20 0.43
PRKCH P24723 5/20 0.43
PRKCI P41743 5/20 0.43
PRKCE Q02156 5/20 0.43
PRKCQ Q04759 5/20 0.43
PRKCZ Q05513 5/20 0.43
PRKCD Q05655 5/20 0.43
PRKD1 Q15139 5/20 0.43
PRKACA P17612 2/20 0.43
PRKACG P22612 2/20 0.43
PRKACB P22694 2/20 0.43
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40

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
SCHEMBL6999579 0.82 HEXA (0.49) KDRCHEK1RAB9ANPC1PRKD3
SCHEMBL6996060 0.81 CA12 (0.42) KDRCHEK1RAB9ANPC1PRKD3
SCHEMBL6999914 0.80 KDR (0.53) KDRCHEK1RAB9ANPC1PRKD3
SCHEMBL7506853 0.76 CHEK1 (0.53) KDRCHEK1RAB9ANPC1PRKD3
SCHEMBL8685683 0.73 KDR (0.40) KDRCHEK1RAB9ANPC1PRKD3
SCHEMBL8478369 0.72 SIRT2 (0.50) RAB9ANPC1PRKD3PRKCGPRKCB
SCHEMBL8086286 0.71 KDR (0.58) KDRCHEK1RAB9ANPC1PRKD3
SCHEMBL78989 0.71 PRKD3 (0.62) KDRCHEK1RAB9ANPC1PRKD3
SCHEMBL29415921 0.71 PRKD3 (0.62) KDRCHEK1RAB9ANPC1PRKD3
SCHEMBL30712836 0.71 KDR (0.58) KDRCHEK1RAB9ANPC1PRKD3

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-1109785-B1 INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MALIGNANT AND OTHER DISEASES CAUSED BY PATHOLOGICAL CELL PROLIFERATION ZENTARIS AG (DE) 2003-01-02 EP disclosed