SCHEMBL31550860

SCHEMBL31550860

C=CCc1ccc(CN2C=CN(CC)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ PPARG P37231 2/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ XDH P47989 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH2 P05091 1/20 0.33

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
SCHEMBL28014802 0.83 CA1 (0.38) ALDH1A1TP53MAPTXDHMEN1
Bromide SCHEMBL28376642 0.82 CA1 (0.37) ALDH1A1TP53MAPTXDHMEN1
Hydrochloric Acid SCHEMBL28707646 0.82 CA1 (0.37) ALDH1A1TP53MAPTXDHMEN1
SCHEMBL25804057 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TP53CYP1A2MAPT
SCHEMBL3457652 0.77 SIGMAR1 (0.43) ALDH1A1SMN1; SMN2TP53TSHRMAPT
SCHEMBL19362304 0.73 ALDH1A1 (0.44) ALDH1A1TP53TSHRMAPTXDH
SCHEMBL2690793 0.70 — —
Hydrochloric Acid SCHEMBL30286340 0.70 MAPT (0.36) ALDH1A1TP53MAPTXDHMEN1
SCHEMBL1082728 0.69 SIGMAR1 (0.39) ALDH1A1CYP3A4HSD17B10GAA
SCHEMBL1626513 0.69 CA1 (0.39) ALDH1A1CYP3A4TP53ALOX15CYP1A2

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
CN-119764547-A Solid electrolyte based on ionic liquid and preparation method thereof 浙江蓝德能源科技发展有限公司 2025-04-04 — — CN claimed
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