SCHEMBL9780990

SCHEMBL9780990

CCNC(=O)c1ccc(C(N)=O)c(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CXCR2 P25025 1/20 0.41
BRD4 O60885 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALOX5 P09917 1/20 0.40
ERN1 O75460 1/20 0.40
KDM4E B2RXH2 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL17748296 0.90 LMNA (0.47) LMNACXCR2BRD4L3MBTL1KMT2A
SCHEMBL21780251 0.82 BRD4 (0.47) LMNACXCR2BRD4L3MBTL1KMT2A
SCHEMBL6566957 0.81 TSHR (0.55) CXCR2BRD4L3MBTL1KMT2AKDM4E
SCHEMBL26409544 0.81 POLB (0.56) LMNACXCR2L3MBTL1KMT2AALOX5
SCHEMBL21780290 0.79 MAPK1 (0.51) KMT2AALOX5CA1CA9HTT
SCHEMBL11785384 0.79 HTR2A (0.41) LMNABRD4L3MBTL1KMT2AALOX5
SCHEMBL11785377 0.79 HTR2A (0.41) LMNABRD4L3MBTL1KMT2AALOX5
SCHEMBL30211643 0.78 ERN1 (0.54) CXCR2L3MBTL1KMT2AHDAC1ERN1
SCHEMBL3424158 0.78 ERN1 (0.54) CXCR2L3MBTL1KMT2AHDAC1ERN1
SCHEMBL27496683 0.78 LMNA (0.61) LMNAL3MBTL1KDM4EJAK2TSHR

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-5049280-A 2,3-dihydroxyterephthalamides as highly effective metal ion sequestering compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-09-17 US disclosed