SCHEMBL2555098

SCHEMBL2555098

N#Cc1cccc(-c2ccc3[nH]cc(C=O)c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
CYP2A6 P11509 1/20 0.46
IMPDH2 P12268 1/20 0.46
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL2557797 0.87 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2535253 0.84 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30665978 0.84 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2531595 0.81 CYP2A6 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9231963 0.79 ICMT (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15330818 0.79 ICMT (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15330606 0.79 CYP2A6 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2557250 0.77 ERN1 (0.59) CYP2A6IMPDH2CYP1A2CYP2C19ALDH1A1
SCHEMBL15332418 0.76 ALDH1A1 (0.72) CYP2A6IMPDH2CYP1A2CYP2C19ALDH1A1
SCHEMBL29953288 0.76 PIM1 (0.47) CYP2A6IMPDH2CYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed