SCHEMBL11536229

SCHEMBL11536229

Cc1nnsc1C(=O)NCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.53
ATM Q13315 1/20 0.52
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 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
SCHEMBL11538782 0.84 LMNA (0.62) CXCR4ATMLMNAMEN1KMT2A
SCHEMBL11537128 0.82 ATM (0.57) CXCR4ATMLMNAHTTKDM4E
SCHEMBL11536046 0.81 MMP13 (0.61) ATMLMNAHTTKDM4EMAPT
SCHEMBL11535652 0.81 CXCR4 (0.60) CXCR4ATMLMNAMEN1KMT2A
SCHEMBL11535832 0.81 ATM (0.59) CXCR4ATMLMNAMEN1KMT2A
SCHEMBL11539718 0.81 ALDH1A1 (0.64) CXCR4ATMMEN1KMT2AMAPT
SCHEMBL11537697 0.80 ATM (0.61) CXCR4ATMLMNAMEN1KMT2A
SCHEMBL11536912 0.79 LMNA (0.61) CXCR4ATMLMNAMEN1KMT2A
SCHEMBL11536219 0.79 CXCR4 (0.64) CXCR4ATMLMNAHTTMAPT
SCHEMBL11536601 0.79 CXCR4 (0.54) CXCR4ATMLMNAKDM4EMAPT

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-4177054-A PREEMERGENT AND POSTEMERGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-12-04 US claimed
US-4177054-A PREEMERGENT AND POSTEMERGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-12-04 US disclosed