SCHEMBL6474976

SCHEMBL6474976

O=C(O)c1cccc([N+](=O)[O-])c1Nc1ccc(CCc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
POLB P06746 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
CXCR2 P25025 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL2293244 0.79 CXCR2 (0.59) CDK2POLBKMT2AMEN1CXCR2
SCHEMBL6474951 0.79 MEN1 (0.61) CDK2FFAR1POLBKMT2AMEN1
SCHEMBL16862346 0.79 KMT2A (0.56) CDK2POLBKMT2AMEN1CXCR2
SCHEMBL6475590 0.76 KMT2A (0.50) CDK2POLBKMT2AMEN1ALDH1A1
SCHEMBL2443092 0.75 TSHR (0.50) CDK2POLBKMT2AMEN1CXCR2
SCHEMBL16737117 0.75 MAPT (0.51) CDK2POLBKMT2AMEN1CXCR2
SCHEMBL12086509 0.75 TSHR (0.50) CDK2POLBKMT2AMEN1CXCR2
SCHEMBL16737201 0.75 TSHR (0.50) CDK2POLBKMT2AMEN1CXCR2
SCHEMBL6484033 0.74 KMT2A (0.43) CDK2POLBKMT2AMEN1ALDH1A1
SCHEMBL7499740 0.74 MEN1 (0.64) KMT2AMEN1CTSVCTSL

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-6972287-B1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits PFIZER INC. (US) 2005-12-06 US claimed