SCHEMBL18359192

SCHEMBL18359192

CCc1ccc2c(c1)N(C)CCC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL3161782 0.87 SRD5A1 (0.48) SRD5A1ALDH1A1MAPTNPC1LMNA
SCHEMBL15497457 0.86 PRMT5 (0.36) SRD5A1HTR2AHTR2CHTR2BALOX5
SCHEMBL5023393 0.78 SRD5A1 (0.45) SRD5A1ALDH1A1MAPTSMN1; SMN2HTR2A
SCHEMBL23209678 0.77 MAOA (0.46) ALDH1A1KDM4EHSD17B1
SCHEMBL20053976 0.77 SRD5A1 (0.42) SRD5A1ALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL30718039 0.77 MAOA (0.46) ALDH1A1KDM4EHSD17B1
SCHEMBL30205902 0.77 SRD5A1 (0.40) SRD5A1ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL30718041 0.77 MAOA (0.46) ALDH1A1KDM4EHSD17B1
SCHEMBL11893058 0.76 NOTUM (0.41) SRD5A1ALDH1A1MAPTNPC1RAB9A
SCHEMBL1994312 0.74 KDM4E (0.49) SRD5A1ALDH1A1MAPTLMNASMN1; 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-2638014-B1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR-GAMMA ACTIVITY AND THE TREATMENT OF DISEASES LYCERA CORP (US) 2017-01-04 — — EP disclosed
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