SCHEMBL31056150

SCHEMBL31056150

[N-]=[N+]=Nc1cc(OCc2ccccc2)c(C=O)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FOLH1 Q04609 1/20 0.43
MCL1 Q07820 2/20 0.40
PTGER1 P34995 4/20 0.40
ERN1 O75460 2/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
SRC P12931 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
SCHEMBL31056268 0.89 ERN1 (0.41) KDM4EALDH1A1POLBL3MBTL1ERN1
SCHEMBL31056819 0.78 FOLH1 (0.40) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL27594451 0.77 CCNB2 (0.46) KDM4EALDH1A1POLBL3MBTL1PTGER1
SCHEMBL14454387 0.74 MAOA (0.49) KDM4EALDH1A1POLBL3MBTL1CCNB2
SCHEMBL5749968 0.71 NR4A2 (0.54) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL9082648 0.71 NR4A2 (0.54) KDM4EALDH1A1PTGER1CCNB2CDK1
SCHEMBL31418731 0.71 HNF4A (0.53) ALDH1A1
SCHEMBL13220559 0.70 ERN1 (0.46) L3MBTL1FOLH1MCL1PTGER1ERN1
SCHEMBL1539204 0.70 SMN1; SMN2 (0.52) KDM4EALDH1A1POLBL3MBTL1ERN1
SCHEMBL18893873 0.70 ERN1 (0.52) L3MBTL1PTGER1ERN1CCNB2CDK1

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
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed