SCHEMBL7302508

SCHEMBL7302508

CCCCCC1C=CCNC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.33
ALDH1A1 P00352 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
GUSB P08236 1/20 0.32
EPHX1 P07099 1/20 0.31
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GLB1 P16278 2/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
GBA2 Q9HCG7 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
SCHEMBL10988826 0.74 ALDH1A1 (0.39) ALDH1A1EPHX1USP2ALOX15TDP1
SCHEMBL10988824 0.74 ALDH1A1 (0.39) ALDH1A1EPHX1USP2ALOX15TDP1
SCHEMBL10988819 0.74 ALDH1A1 (0.39) ALDH1A1EPHX1USP2ALOX15TDP1
SCHEMBL1244011 0.72 ALDH1A1 (0.34) GBA1ALDH1A1SPHK1GUSBEPHX1
SCHEMBL2936108 0.72
SCHEMBL5408963 0.69 ALDH1A1 (0.54) ALDH1A1EPHX1USP2ALOX15TDP1
SCHEMBL9209673 0.68 ALDH1A1 (0.57) ALDH1A1EPHX1USP2ALOX15TDP1
SCHEMBL11788866 0.68 ALDH1A1 (0.57) ALDH1A1EPHX1USP2ALOX15TDP1
SCHEMBL9213351 0.68 ALDH1A1 (0.57) ALDH1A1EPHX1USP2ALOX15TDP1
SCHEMBL11785211 0.68 ALDH1A1 (0.57) ALDH1A1EPHX1USP2ALOX15TDP1

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-3374465-B1 LUMINESCENT DYES AS EMITTER DYES HAVING AT LEAST 3 EMISSION BANDS KARLSRUHER INST TECHNOLOGIE (DE) 2020-06-17 EP disclosed
EP-0114603-A1 Indole derivatives MERCK PATENT GmbH (DE) 1984-08-01 EP disclosed