SCHEMBL11537697

SCHEMBL11537697

Cc1nnsc1C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
POLB P06746 1/20 0.54
CXCR4 P61073 1/20 0.53
LMNA P02545 3/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.52
HCRTR1 O43613 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
USP2 O75604 1/20 0.50
P2RX7 Q99572 1/20 0.49
APEX1 P27695 1/20 0.48
HDAC1 Q13547 1/20 0.48
MAOB P27338 1/20 0.47

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
SCHEMBL11537128 0.87 ATM (0.57) ATMPOLBCXCR4LMNAGAA
SCHEMBL11536912 0.84 LMNA (0.61) ATMPOLBCXCR4LMNAGAA
SCHEMBL11538782 0.84 LMNA (0.62) ATMPOLBCXCR4LMNAGAA
SCHEMBL11536046 0.84 MMP13 (0.61) ATMLMNAHTTUSP2APEX1
SCHEMBL11535832 0.84 ATM (0.59) ATMPOLBCXCR4LMNAMEN1
SCHEMBL11538732 0.80 POLB (0.64) ATMPOLBCXCR4LMNAGAA
SCHEMBL11536229 0.80 CXCR4 (0.53) ATMPOLBCXCR4LMNAGAA
SCHEMBL11535652 0.79 CXCR4 (0.60) ATMPOLBCXCR4LMNAGAA
SCHEMBL11536601 0.79 CXCR4 (0.54) ATMPOLBCXCR4LMNAGAA
SCHEMBL11535238 0.79 TSHR (0.56) ATMLMNAGAAKMT2AHTT

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