SCHEMBL4779650

SCHEMBL4779650

CSc1nc(CCCc2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EIF4A1 P60842 4/20 0.44
PSD A5PKW4 2/20 0.43
TNFSF10 P50591 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
FAAH O00519 1/20 0.40
POLB P06746 1/20 0.40
LTB4R Q15722 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL27999283 0.85 TNFSF10 (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4778477 0.81 MEN1 (0.45) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4774611 0.77 LTB4R (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4776218 0.76 CYP19A1 (0.42) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4776675 0.75 HTR7 (0.47) MAPTALDH1A1KMT2APSDSIGMAR1
SCHEMBL4774559 0.75 KMT2A (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4774593 0.74 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4774514 0.73 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL4779144 0.73 MEN1 (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4778107 0.73 LTB4R (0.48) MAPTMEN1KMT2ACYP19A1CYP11B1

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
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed