SCHEMBL28992040

SCHEMBL28992040

Cn1c2c(c3ccccc31)CCCC2C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ TBXA2R P21731 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMPD1 P17405 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ GPR3 P46089 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
SCHEMBL28328665 0.78 HSD17B10 (0.45) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL28991545 0.77 — —
SCHEMBL29202845 0.77 HSD17B10 (0.56) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL4041356 0.75 HSD17B10 (0.43) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL11093437 0.73 USP2 (0.39) ALDH1A1HPGDMEN1KMT2AUSP2
SCHEMBL8793251 0.71 HTR2A (0.44) HSD17B10ALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL8792855 0.70 ALOX15 (0.45) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL3858428 0.69 MCHR1 (0.52) TSHRCYP1A2CYP2D6SLC6A4
Hydrochloric Acid SCHEMBL4369870 0.68 CYP2D6 (0.47) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL20368866 0.68 SMPD1 (0.37) HSD17B10ALDH1A1HPGDMEN1KMT2A

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
CN-115677560-A Synthesis method of 1,2,3, 9-tetrahydro-9-methyl-4H-carbazole-4-ketone 常州兰陵制药有限公司 2023-02-03 — — CN disclosed
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