SCHEMBL7834014

SCHEMBL7834014

O=C1CNc2ccccc2C(c2ccccc2Cl)=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 4/20 0.44
▸ CCNE1 P24864 4/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ GABRA1 P14867 4/20 0.41
▸ GABRA5 P31644 4/20 0.41
▸ GABRA3 P34903 4/20 0.41
▸ GABRA2 P47869 4/20 0.41
▸ GABRB2 P47870 4/20 0.41
▸ GABRG2 P18507 3/20 0.41
▸ GABRB3 P28472 3/20 0.41
▸ GABRP O00591 2/20 0.41
▸ GABRD O14764 2/20 0.41
▸ GABRB1 P18505 2/20 0.41
▸ GABRA4 P48169 2/20 0.41
▸ GABRE P78334 2/20 0.41
▸ GABRA6 Q16445 2/20 0.41
▸ GABRG1 Q8N1C3 2/20 0.41
▸ GABRG3 Q99928 2/20 0.41
▸ GABRQ Q9UN88 2/20 0.41
▸ ALDH1A1 P00352 2/20 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
SCHEMBL8773953 0.81 CCNE2 (0.44) CCNE2CCNE1CDK2GABRA1GABRA5
SCHEMBL9381489 0.76 GABRA1 (0.39) CCNE2CCNE1CDK2GABRA1GABRA5
SCHEMBL9378707 0.75 CYP11B1 (0.44) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7428220 0.74 PDPK1 (0.39) ALDH1A1JAK2ADRA1AKDR
SCHEMBL11037136 0.72 TAAR1 (0.46) CCNE2CCNE1CDK2GABRA1GABRA5
SCHEMBL2782043 0.69 NOS2 (0.39) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL1074100 0.69 JAK2 (0.41) CDK2GABRA1GABRA5GABRA3GABRA2
SCHEMBL7720989 0.69 GABRA1 (0.77) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7324235 0.68 SMN1; SMN2 (0.41) CCNE2CCNE1CDK2GABRA1GABRA5
SCHEMBL9686742 0.66 MEN1 (0.58) CCNE2CCNE1CDK2GABRA1GABRA5

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-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 — — EP disclosed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 — — WO disclosed
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