SCHEMBL23403248

SCHEMBL23403248

Cc1ccc(-n2nc(-c3ccccc3)c(O)c2C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CNR1 P21554 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ESR1 P03372 1/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL23398755 0.94 CCNA2 (0.46) MEN1KMT2ACCNA2CDK2LMNA
SCHEMBL23400754 0.93 ESR1 (0.42) MEN1KMT2ACCNA2CDK2LMNA
SCHEMBL23401110 0.91 MEN1 (0.48) MEN1KMT2ACCNA2CDK2ALDH1A1
SCHEMBL23398386 0.85 RPA1 (0.48) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL23400029 0.85 RPA1 (0.47) MEN1KMT2ACCNA2CDK2LMNA
SCHEMBL23398954 0.84 TP53 (0.47) CNR1
SCHEMBL23400230 0.82 ALDH1A1 (0.40) MEN1KMT2ACCNA2CDK2LMNA
SCHEMBL23400371 0.82 MEN1 (0.55) MEN1KMT2ACCNA2CDK2LMNA
SCHEMBL23398399 0.81 PTGER1 (0.48) MEN1KMT2ACCNA2CDK2LMNA
SCHEMBL23402037 0.79 CCNA2 (0.48) MEN1KMT2ACCNA2CDK2LMNA

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed