SCHEMBL9686019

SCHEMBL9686019

O=C(OCc1ccccc1)C1NCCc2c1[nH]c1cc(Br)ccc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 0.55
PRMT5 O14744 1/20 0.43
HTR2A P28223 2/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43
HTR2C P28335 1/20 0.43
GRIN2B Q13224 1/20 0.42

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
SCHEMBL5534250 0.87 MAPKAPK2 (0.67) MAPKAPK2PRMT5HTR2AMAPKAPK5HTR2C
SCHEMBL9687220 0.85 MAPKAPK2 (0.50) MAPKAPK2HTR2AMAPKAPK5HTR2C
SCHEMBL29547973 0.81 MAPKAPK2 (0.67) MAPKAPK2HTR2AMAPKAPK5HTR2C
SCHEMBL3476628 0.81 MAPKAPK2 (0.67) MAPKAPK2HTR2AMAPKAPK5HTR2C
SCHEMBL10481507 0.74 MAPKAPK2 (0.67) MAPKAPK2PRMT5MAPKAPK5GRIN2B
SCHEMBL273473 0.74 MAPKAPK2 (0.67) MAPKAPK2PRMT5MAPKAPK5GRIN2B
SCHEMBL14948517 0.72 FABP7 (0.35) MAPKAPK2
SCHEMBL7436594 0.72 GLA (0.44) MAPKAPK2HTR2C
SCHEMBL9686034 0.72 ALK (0.44)
SCHEMBL6238559 0.72 MAPKAPK2 (0.81) MAPKAPK2PRMT5MAPKAPK5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4894457-A BROMINATION, HYDROLYSIS KAWAKEN FINE CHEMICALS CO., LTD. (JP) 1990-01-16 US claimed
EP-0273321-B1 7-BROMO-BETA-CARBOLINE COMPOUND AND METHOD FOR PRODUCING SAME Kawaken Fine Chemicals Co., Ltd. (JP) 1992-04-22 EP disclosed
US-4894457-A BROMINATION, HYDROLYSIS KAWAKEN FINE CHEMICALS CO., LTD. (JP) 1990-01-16 US disclosed
EP-0273321-A1 7-Bromo-beta-carboline compound and method for producing same Kawaken Fine Chemicals Co., Ltd. (JP) 1988-07-06 EP disclosed