SCHEMBL11705019

SCHEMBL11705019

Nc1ccccc1S(=O)(=O)NCC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.62
NPY1R P25929 2/20 0.62
NSD2 O96028 2/20 0.53
BCL2L1 Q07817 1/20 0.52
MCL1 Q07820 1/20 0.52
GBA1 P04062 1/20 0.51
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
ADRA2A P08913 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
AQP1 P29972 1/20 0.45
NPY2R P49146 1/20 0.45
NPY4R P50391 1/20 0.45
MCHR1 Q99705 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
SCHEMBL18230024 0.85 NPY5R (0.59) NPY5RNPY1RNSD2GBA1ALDH1A1
Hydrochloric Acid SCHEMBL4444605 0.85 NSD2 (0.74) NSD2BCL2L1MCL1
SCHEMBL7702998 0.82 MAPT (0.59) NPY5RNPY1RBCL2L1MCL1GBA1
SCHEMBL18230036 0.79 NSD2 (0.70) NPY5RNPY1RNSD2GBA1ALDH1A1
SCHEMBL5167099 0.78 PI4KB (0.53) BCL2L1MCL1GBA1KMT2AALDH1A1
SCHEMBL5164880 0.78 PI4KB (0.53) BCL2L1MCL1GBA1KMT2AALDH1A1
SCHEMBL7886816 0.78 GBA1 (0.83) BCL2L1MCL1GBA1KMT2AALDH1A1
SCHEMBL8396377 0.78 GBA1 (0.83) BCL2L1MCL1GBA1KMT2AALDH1A1
SCHEMBL15916076 0.77 MAPT (0.56) NPY5RNPY1RNSD2BCL2L1MCL1
SCHEMBL11228520 0.76 ALDH1A1 (0.64) KMT2AALDH1A1SMN1; SMN2ALOX5APFEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4033943-A Fiber reactive water soluble 2,4,6-triamino, 3-cyano pyridine-(5) azo dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed