SCHEMBL27829596

SCHEMBL27829596

COc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1CN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAP4K1 Q92918 1/20 0.40
▸ PDE4B Q07343 2/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL20610690 0.95 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HSD17B10LRRK2KDM4E
SCHEMBL27765963 0.91 KDM4E (0.44) ALDH1A1KDM4ETP53RXFP1MAPT
SCHEMBL2951395 0.78 ALOX5 (0.43) ALDH1A1SMN1; SMN2HSD17B10KDM4EGAA
SCHEMBL27809098 0.77 GABRA1 (0.33) —
SCHEMBL2950385 0.71 BRD4 (0.40) ALDH1A1SMN1; SMN2KDM4EGAATP53
SCHEMBL31471705 0.71 CDC25A (0.37) HSD17B10KDM4EGAAL3MBTL1
SCHEMBL8003382 0.70 NPC1 (0.40) ALDH1A1SMN1; SMN2HSD17B10KDM4EGAA
SCHEMBL27910482 0.70 NPC1 (0.40) ALDH1A1SMN1; SMN2HSD17B10KDM4EGAA
SCHEMBL27968431 0.70 NPC1 (0.40) ALDH1A1SMN1; SMN2HSD17B10KDM4EGAA
SCHEMBL28098901 0.70 NPC1 (0.40) ALDH1A1SMN1; SMN2HSD17B10KDM4EGAA

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
CN-102068436-B Dihydroporphin photosensitizer and preparation and application thereof UNIV DONGHUA 2012-05-23 — — CN disclosed
CN-102068436-A Dihydroporphin photosensitizer and preparation and application thereof UNIV DONGHUA 2011-05-25 — — CN disclosed
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