SCHEMBL4970714

SCHEMBL4970714

NC1CCCc2c1n(-c1ncccn1)c1ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TBXA2R P21731 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ PDE1A P54750 1/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ SMPD1 P17405 1/20 0.32
▸ ACHE P22303 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL4970261 0.84 KDM4E (0.42) MEN1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL4967660 0.83 KDM4E (0.46) MEN1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL4972772 0.81 HTR6 (0.39) ALDH1A1KMT2AHSD17B10ACHEHTR6
SCHEMBL4971283 0.80 HTR6 (0.39) MEN1ALDH1A1KMT2AACHETP53
SCHEMBL5513518 0.76 MEN1 (0.45) MEN1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL4970199 0.69 CYP11B1 (0.37) MEN1ALDH1A1KMT2AHTR6
SCHEMBL4968337 0.68 MAPT (0.44) MEN1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL16484323 0.68 KDM4E (0.50) MEN1ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL4968898 0.67 MEN1 (0.44) MEN1ALDH1A1KMT2AHSD17B10TP53
SCHEMBL4969062 0.67 KDM4E (0.43) MEN1ALDH1A1KMT2AHPGDHSD17B10

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-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 — — EP claimed
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