SCHEMBL10840462

SCHEMBL10840462

Cc1cccc2c1NC1CCCCC1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ HTR5A P47898 1/20 0.34
▸ PRCP P42785 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ ALOX12 P18054 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ HTR2A P28223 3/20 0.31
▸ HTR2C P28335 3/20 0.31
▸ HTR2B P41595 3/20 0.31
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL10839656 0.81 KDM4E (0.35) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL10840722 0.81 AHR (0.37) KMT2AHTR5APRCPHTR1ALMNA
SCHEMBL10841145 0.77 PNMT (0.34) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL10838832 0.75 HTR2A (0.33) ALDH1A1CREBBPTSHRHTR2AHTR2C
SCHEMBL5208272 0.73 TSHR (0.49) NOS2CREBBPPRCPLMNATSHR
SCHEMBL5213527 0.73 TSHR (0.49) NOS2CREBBPPRCPLMNATSHR
SCHEMBL9791471 0.72 CREBBP (0.56) MEN1ALDH1A1KMT2ACREBBPHTR5A
SCHEMBL26075115 0.71 TSHR (0.47) NOS2ALDH1A1CREBBPPRCPLMNA
SCHEMBL10840488 0.71 PNMT (0.32) HTR2AHTR2CHTR2B
SCHEMBL23253603 0.70 PARP1 (0.49) NOS2MEN1ALDH1A1KMT2ALMNA

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-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 — — EP disclosed
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