SCHEMBL29953555

SCHEMBL29953555

Cc1c(C(=O)O)cnc2[nH]cc(C=O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
CAMKK2 Q96RR4 2/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
MAP3K7 O43318 4/20 0.34
TAB1 Q15750 4/20 0.34

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
SCHEMBL29953724 0.80 KMT2A (0.38) KMT2AMAP3K7TAB1
SCHEMBL26097180 0.77 CYP2A6 (0.41) KMT2APIM3
SCHEMBL29951288 0.76 KMT2A (0.47) KMT2ACAMKK2MAP3K7TAB1KDM4E
SCHEMBL29956991 0.75 KMT2A (0.36) KMT2AMAP3K7TAB1KDM4EALDH1A1
SCHEMBL9923093 0.73 CAMKK2 (0.38) CAMKK2GABRPGABRDGABRA1GABRB1
SCHEMBL13040462 0.71 KMT2A (0.38) KMT2AALDH1A1
SCHEMBL12655167 0.68 KMT2A (0.41) KMT2AMAP3K7TAB1
SCHEMBL24765630 0.68 LRRK2 (0.47) JAK3
SCHEMBL29952807 0.68 CYP2A6 (0.38) KMT2AKDM4E
SCHEMBL17843962 0.67 KMT2A (0.51) KMT2AALDH1A1CLK4JAK2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed