SCHEMBL8809414

SCHEMBL8809414

CN(CCCOc1ccc(NC(=O)c2cccc(C(=O)c3ccccc3)c2)cc1)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 10/20 0.62
▸ BCHE P06276 7/20 0.61
▸ KDR P35968 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.53
▸ KDM1A O60341 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LTA4H P09960 1/20 0.52

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
SCHEMBL8812228 0.95 ACHE (0.56) ACHEBCHEKDRMEN1KMT2A
SCHEMBL8807451 0.89 ACHE (0.55) ACHEBCHEKDRSIGMAR1MEN1
SCHEMBL8807455 0.79 MEN1 (0.53) KDRMEN1KMT2A
SCHEMBL8812233 0.78 TAAR1 (0.55) MEN1KMT2A
SCHEMBL8809426 0.76 KMT2A (0.51) KDRMAOBMEN1KMT2A
SCHEMBL8806840 0.75 ACHE (0.56) ACHEBCHESIGMAR1MEN1KMT2A
SCHEMBL8806915 0.75 OPRM1 (0.70) ACHEBCHESIGMAR1MEN1KMT2A
SCHEMBL1469807 0.73 LTA4H (0.76) ACHEBCHELTA4H
SCHEMBL8806124 0.73 MAOB (0.55) KDRMAOBMEN1KMT2A
SCHEMBL13579103 0.72 ACHE (0.67) ACHEBCHEMEN1KMT2ALTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 — — US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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