SCHEMBL7450159

SCHEMBL7450159

CCCc1c(CO[Si](C)(C)C(C)(C)C)ccc2[nH]c(CN(CCC)C(=O)c3cc(F)ccc3F)nc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.34
▸ ALDH1A1 P00352 7/20 0.34
▸ HSD17B10 Q99714 6/20 0.34
▸ HPGD P15428 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ AR P10275 1/20 0.30

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
SCHEMBL7456245 0.73 — —
SCHEMBL7455589 0.73 — —
SCHEMBL5109494 0.69 TBXA2R (0.38) —
SCHEMBL7456043 0.68 ATM (0.39) KDM4EHSD17B10LMNAAR
SCHEMBL31658767 0.64 MAOB (0.40) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL14941650 0.61 IDO1 (0.38) KDM4E
SCHEMBL7456591 0.61 LTB4R2 (0.39) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL7453001 0.61 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10GAA
SCHEMBL27106193 0.61 IDO1 (0.56) KDM4ESMN1; SMN2
SCHEMBL30976535 0.61 IDO1 (0.56) KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165557-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2002-01-02 — — EP disclosed
WO-2000059905-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2000-10-12 — — WO disclosed
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