SCHEMBL185989

SCHEMBL185989

Cc1ccccc1NC1(C#N)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
PDE4A P27815 11/20 0.47
MAPT P10636 1/20 0.43
P2RX7 Q99572 2/20 0.43
PDE7A Q13946 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
SCHEMBL1715359 0.95 CYP1A2 (0.46) GAACYP1A2ALDH1A1POLBPDE4A
SCHEMBL30184869 0.95 CYP1A2 (0.46) GAACYP1A2ALDH1A1POLBPDE4A
SCHEMBL3404994 0.80 CYP1A2 (0.49) GAACYP1A2ALDH1A1POLBPDE4A
SCHEMBL3410556 0.78 CYP1A2 (0.50) GAACYP1A2ALDH1A1POLBPDE4A
SCHEMBL6045501 0.76 SMN1; SMN2 (0.53) ALDH1A1POLB
SCHEMBL11428637 0.75 P2RX7 (0.47) POLBMAPTP2RX7
SCHEMBL2534556 0.75 CYP1A2 (0.70) GAACYP1A2ALDH1A1POLBPDE4A
SCHEMBL12456440 0.75 CYP1A2 (0.46) GAACYP1A2ALDH1A1POLBPDE4A
SCHEMBL12456043 0.75 CYP1A2 (0.46) GAACYP1A2ALDH1A1POLBPDE4A
SCHEMBL8582756 0.74 P2RX7 (0.50) GAAALDH1A1POLBMAPTP2RX7

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-2401260-A1 DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2012-01-04 EP disclosed
WO-2010097465-A1 DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 WO disclosed