SCHEMBL11535832

SCHEMBL11535832

Cc1nnsc1C(=O)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
HPGD P15428 1/20 0.55
CXCR4 P61073 1/20 0.54
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.52
CNR1 P21554 3/20 0.52
CNR2 P34972 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
USP2 O75604 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
P2RX7 Q99572 2/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL11536912 0.85 LMNA (0.61) ATMHPGDCXCR4TSHRPOLB
SCHEMBL11537697 0.84 ATM (0.61) ATMCXCR4POLBUSP2HTT
SCHEMBL11541000 0.83 CNR1 (0.48) ATMHPGDTSHRCNR1CNR2
SCHEMBL11535652 0.82 CXCR4 (0.60) ATMHPGDCXCR4TSHRPOLB
SCHEMBL11536229 0.81 CXCR4 (0.53) ATMCXCR4POLBSMN1; SMN2USP2
SCHEMBL11537128 0.81 ATM (0.57) ATMHPGDCXCR4POLBUSP2
SCHEMBL11536219 0.80 CXCR4 (0.64) ATMCXCR4POLBSMN1; SMN2HTT
SCHEMBL11538782 0.80 LMNA (0.62) ATMCXCR4POLBUSP2MEN1
SCHEMBL11536601 0.80 CXCR4 (0.54) ATMCXCR4POLBUSP2KDM4E
SCHEMBL11539718 0.79 ALDH1A1 (0.64) ATMHPGDCXCR4POLBMEN1

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