SCHEMBL10406643

SCHEMBL10406643

Cc1cc(C(O)c2ccccc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
UHRF1 Q96T88 1/20 0.42
KDM5A P29375 1/20 0.39
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 3/20 0.38
CREBBP Q92793 2/20 0.38
PRCP P42785 1/20 0.38
CLK1 P49759 2/20 0.37
DYRK1A Q13627 2/20 0.37

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
SCHEMBL23882891 0.78 BRD4 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11075725 0.78 UHRF1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10514041 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKDM4EKDM5AALDH1A1
SCHEMBL15922040 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKDM4EKDM5AALDH1A1
SCHEMBL6378754 0.77 SMN1; SMN2 (0.43) SMN1; SMN2LMNAKDM4EKDM5AALDH1A1
SCHEMBL19846691 0.76 UHRF1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17198732 0.76 UHRF1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20247131 0.75 UHRF1 (0.46) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL3660321 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13754944 0.74 NR3C2 (0.47) LMNAKDM4EPSEN1PSEN2APH1B

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-4931450-A Amino acid derivatives NOVO INDUSTRI A/S (DK) 1990-06-05 US disclosed