SCHEMBL27986266

SCHEMBL27986266

O=C=C1CCNc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.44
▸ PARP10 Q53GL7 4/20 0.40
▸ PARP11 Q9NR21 4/20 0.40
▸ PARP1 P09874 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 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
SCHEMBL1376468 0.80 NOS2 (0.37) BRD4PARP10PARP11PARP1MEN1
SCHEMBL68581 0.74 MEN1 (0.61) BRD4PARP10PARP11PARP1MEN1
Hydrochloric Acid SCHEMBL29473284 0.72 MEN1 (0.59) BRD4PARP10PARP11PARP1MEN1
Hydrochloric Acid SCHEMBL5512697 0.72 MEN1 (0.59) BRD4PARP10PARP11PARP1MEN1
Hydrochloric Acid SCHEMBL7142299 0.72 MEN1 (0.59) BRD4PARP10PARP11PARP1MEN1
Hydrochloric Acid SCHEMBL30205268 0.71 MEN1 (0.58) BRD4PARP10PARP11PARP1MEN1
SCHEMBL7255005 0.69 BRD4 (0.44) BRD4PARP10PARP11PARP1MEN1
SCHEMBL1617927 0.69 PDPK1 (0.59) BRD4PARP10PARP11PARP1MEN1
SCHEMBL11802702 0.69 BRD4 (0.44) BRD4PARP10PARP11PARP1MEN1
SCHEMBL27462974 0.69 PARP10 (0.58) PARP10PARP11PARP1MEN1ALDH1A1

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-104163797-A Synthetic method of 4-hydroxy-1,2,3,4-tetrahydroquinoline UNIV ZUNYI MEDICAL 2014-11-26 — — CN disclosed
CN-104163797-A Synthetic method of 4-hydroxy-1,2,3,4-tetrahydroquinoline UNIV ZUNYI MEDICAL 2014-11-26 — — CN disclosed
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