SCHEMBL19257842

SCHEMBL19257842

CC/C(=C\C(C)(CC)CC)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 8/20 0.40
▸ RAB9A P51151 8/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ KDM4E B2RXH2 7/20 0.39
▸ LMNA P02545 5/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38
▸ PKM P14618 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37

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
SCHEMBL21035771 0.87 MAPK1 (0.41) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20372699 0.82 MAPK1 (0.38) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15887805 0.79 ALDH1A1 (0.48) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28632628 0.79 ALDH1A1 (0.48) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19278160 0.79 ALDH1A1 (0.48) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23653884 0.78 MAPK1 (0.35) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19751866 0.78 ALDH1A1 (0.47) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23653883 0.76 ALDH1A1 (0.46) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20683516 0.73 ALDH1A1 (0.43) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL26860567 0.73 ALDH1A1 (0.43) MAPK1ALDH1A1NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205658-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2017-08-16 — — EP disclosed
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