SCHEMBL9852379

SCHEMBL9852379

N#CC(=Cc1ccccc1)C(=O)c1ccc(N)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.54
EGFR P00533 7/20 0.51
ERBB2 P04626 5/20 0.51
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 8/20 0.47
MAPT P10636 7/20 0.47
CYP3A4 P08684 5/20 0.47
GAA P10253 1/20 0.47
ESR2 Q92731 1/20 0.47
PTPN1 P18031 1/20 0.47
KMT2A Q03164 6/20 0.47
PKM P14618 3/20 0.47
POLB P06746 2/20 0.47
ATM Q13315 1/20 0.47
S100A4 P26447 1/20 0.46
LMNA P02545 4/20 0.46
TP53 P04637 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 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
SCHEMBL9852390 0.81 LMNA (0.56) MCL1EGFRERBB2KDM4EALDH1A1
SCHEMBL2349038 0.76 ALDH1A1 (0.73) MCL1EGFRERBB2KDM4EALDH1A1
SCHEMBL2349031 0.76 ALDH1A1 (0.73) MCL1EGFRERBB2KDM4EALDH1A1
SCHEMBL20959563 0.73 ALDH1A1 (0.79) MCL1EGFRERBB2KDM4EALDH1A1
SCHEMBL2957854 0.73 ALDH1A1 (0.79) MCL1EGFRERBB2KDM4EALDH1A1
SCHEMBL19888568 0.73 ALDH1A1 (0.79) MCL1EGFRERBB2KDM4EALDH1A1
SCHEMBL38659501 0.73 MCL1 (0.57) MCL1EGFRERBB2KDM4EALDH1A1
SCHEMBL8977053 0.71 ALDH1A1 (0.51) EGFRKDM4EALDH1A1MAPTCYP3A4
SCHEMBL1692376 0.71 MCL1 (1.00) MCL1EGFRERBB2KDM4EALDH1A1
SCHEMBL1692375 0.71 MCL1 (1.00) MCL1EGFRERBB2KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428398-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-05-22 EP claimed
EP-0428398-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-05-22 EP disclosed