SCHEMBL11419807

SCHEMBL11419807

CCc1cccc2c1NC(C)(C)CC2C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ THRB P10828 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ ALDH1A1 P00352 5/20 0.44
▸ HTT P42858 1/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ PGR P06401 8/20 0.39
▸ AR P10275 5/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NR3C1 P04150 5/20 0.35

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
SCHEMBL10717778 0.80 ALDH1A1 (0.51) MAPTMEN1KMT2AKDM4ETHRB
SCHEMBL10840849 0.79 ALDH1A1 (0.45) MAPTMEN1KMT2AKDM4ETHRB
SCHEMBL8053689 0.77 MAPT (0.41) MAPTMEN1KMT2AKDM4ETHRB
SCHEMBL10716481 0.76 HTR2C (0.46) MAPTMEN1KMT2AKDM4ETHRB
Oxirane SCHEMBL11783394 0.75 ALDH1A1 (0.46) MAPTMEN1KMT2AKDM4ETHRB
SCHEMBL10840472 0.73 MEN1 (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL10839305 0.72 PGR (0.43) MAPTMEN1KMT2AKDM4ETHRB
SCHEMBL6647403 0.72 AR (0.45) MAPTMEN1KMT2AKDM4ETHRB
SCHEMBL5502338 0.71 AR (0.47) MAPTALDH1A1HTTPGRAR
SCHEMBL23183440 0.70 ALDH1A1 (0.55) MAPTMEN1KMT2AKDM4ETHRB

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
US-4185151-A 1-R-2-(U-HYDROXYALKYL-2,2,4-TRIMETHYL TETRAHYDROQUINOL-6-YL) BENZ(CD)INDOLES BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 — — US disclosed
US-4000141-A SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 — — US disclosed
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