SCHEMBL18294162

SCHEMBL18294162

c1ccc(-c2ccccc2Nc2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 1/20 0.40
▸ MAP3K8 P41279 3/20 0.40
▸ PTGIR P43119 1/20 0.40
▸ MAPKAPK2 P49137 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ ALK Q9UM73 1/20 0.38
▸ RIPK2 O43353 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ FABP3 P05413 1/20 0.36

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
SCHEMBL27384048 0.96 MAP3K8 (0.41) PIM3MAP3K8PTGIRMAPKAPK2MAPT
SCHEMBL20317139 0.95 PIM3 (0.39) PIM3MAP3K8PTGIRMAPKAPK2MAPT
SCHEMBL18333651 0.95 MAP3K8 (0.40) PIM3MAP3K8PTGIRMAPKAPK2MAPT
SCHEMBL25502796 0.93 PTGIR (0.39) PIM3MAP3K8PTGIRMAPKAPK2MAPT
SCHEMBL22136343 0.92 PIM3 (0.40) PIM3MAP3K8PTGIRMAPKAPK2MAPT
SCHEMBL17779549 0.91 SIRT2 (0.40) PIM3PTGIRMAPTCDC25BALK
SCHEMBL23168466 0.90 MAPT (0.43) PIM3MAP3K8PTGIRMAPTCDC25B
SCHEMBL29514897 0.90 PTGIR (0.48) MAP3K8PTGIRMAPTCDC25BRIPK2
SCHEMBL18216689 0.90 PTGIR (0.48) MAP3K8PTGIRMAPTCDC25BRIPK2
SCHEMBL17968618 0.89 FABP3 (0.43) PIM3PTGIRMAPTCDC25BKDR

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-3101088-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2016-12-07 — — EP disclosed
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