SCHEMBL5570062

SCHEMBL5570062

CCC(=O)NCCCN1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 4/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.53
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PAOX Q6QHF9 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ACHE P22303 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL31035962 0.93 KMT2A (0.57) TP53SMN1; SMN2KMT2AMEN1USP2
SCHEMBL15985650 0.89 HDAC2 (0.51) TP53SMN1; SMN2KMT2AMEN1DRD2
SCHEMBL6196093 0.87 SMN1; SMN2 (0.57) TP53SMN1; SMN2KMT2AMEN1DRD2
SCHEMBL5230823 0.86 SMN1; SMN2 (0.56) TP53SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL20998566 0.85 USP2 (0.56) TP53SMN1; SMN2KMT2AUSP2ALDH1A1
SCHEMBL18628073 0.84 SMN1; SMN2 (0.58) TP53SMN1; SMN2KMT2AUSP2ALDH1A1
SCHEMBL23707785 0.83 SMN1; SMN2 (0.57) TP53SMN1; SMN2KMT2AUSP2ALDH1A1
SCHEMBL8433585 0.83 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1PAOXKDM4E
SCHEMBL11555 0.83 TP53 (0.53) TP53SMN1; SMN2KMT2AMEN1USP2
SCHEMBL8437935 0.82 FAAH (0.55) TP53SMN1; SMN2KMT2AUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 WO claimed
WO-2019165229-A1 SMALL MOLECULES FOR INDUCING SELECTIVE PROTEIN DEGRADATION AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-29 WO disclosed
WO-2017044849-A1 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-03-16 WO disclosed