SCHEMBL29954980

SCHEMBL29954980

O=Cc1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 5/20 0.57
HPGD P15428 4/20 0.57
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
POLB P06746 1/20 0.53
FOLH1 Q04609 1/20 0.51
GAA P10253 3/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPT P10636 2/20 0.50
GFER P55789 2/20 0.50
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAP2 P11137 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MCL1 Q07820 1/20 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
SCHEMBL5008079 1.00 KDM4E (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2227263 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
Benzene SCHEMBL28244199 0.82 MEN1 (0.58) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL1253813 0.80 EGFR (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2800262 0.80 KDM4E (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7387632 0.78 RAB9A (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31025899 0.77 ALOX15 (0.65) KDM4EHPGDMEN1KMT2A
SCHEMBL29954951 0.77 MEN1 (0.58) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29955514 0.77 RXFP1 (0.58) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL29954193 0.77 MAP2 (0.49) KDM4EALDH1A1HPGDMEN1KMT2A

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