SCHEMBL11262247

SCHEMBL11262247

CCN(CC)N(C(C)=O)c1nc2c(Br)c3nc(N(C(C)=O)N(CC)CC)sc3cc2s1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.34
THRB P10828 2/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL11259227 0.87 THRB (0.35) HTR2CTHRBMAPTLMNATP53
SCHEMBL11262366 0.86 HTR2C (0.34) HTR2CMAPTLMNATP53KMT2A
SCHEMBL11271216 0.86 HTR2C (0.34) HTR2CLMNATP53KMT2AMEN1
SCHEMBL11269299 0.84 HTR2C (0.33) HTR2CLMNATP53KMT2AMEN1
SCHEMBL11269416 0.82 KMT2A (0.38) HTR2CMAPTTP53KMT2AMEN1
SCHEMBL11256677 0.81 HTR2C (0.42) HTR2CMAPTLMNATP53KMT2A
SCHEMBL11262591 0.80 TP53 (0.32) TP53
SCHEMBL11269352 0.78 TP53 (0.34) HTR2CMAPTTP53KMT2AMEN1
SCHEMBL11271742 0.77
SCHEMBL11262762 0.76 HTR2C (0.35) HTR2CTP53KMT2AMEN1RAD52

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 US claimed
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 US disclosed