SCHEMBL11536699

SCHEMBL11536699

Cc1nnsc1C(=O)NCc1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
USP2 O75604 1/20 0.62
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 4/20 0.57
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CHRM4 P08173 1/20 0.54
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 2/20 0.52
MEN1 O00255 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL12852295 0.86 GAA (0.57) ATMUSP2KMT2AALDH1A1HTT
SCHEMBL11538732 0.85 POLB (0.64) ATMUSP2KMT2AHTTLMNA
SCHEMBL11535524 0.84 ATM (0.67) ATMUSP2KMT2AALDH1A1LMNA
SCHEMBL11535590 0.82 HPGD (0.58) ATMKMT2AALDH1A1HTTLMNA
SCHEMBL11538782 0.81 LMNA (0.62) ATMUSP2KMT2AALDH1A1LMNA
SCHEMBL12682799 0.80 ATM (1.00) ATMUSP2HTTLMNAMAPT
SCHEMBL11536912 0.78 LMNA (0.61) ATMUSP2KMT2AALDH1A1HTT
SCHEMBL11535832 0.78 ATM (0.59) ATMUSP2KMT2AALDH1A1HTT
SCHEMBL11537697 0.77 ATM (0.61) ATMUSP2KMT2AHTTLMNA
SCHEMBL11535652 0.75 CXCR4 (0.60) ATMUSP2KMT2AALDH1A1HTT

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