SCHEMBL9320508

SCHEMBL9320508

CCN(CC)S(=O)(=O)c1cc(N)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 5/20 0.51
TSHR P16473 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL17774582 0.84 LMNA (0.46) ALDH1A1HTTLMNATSHRMEN1
SCHEMBL14010619 0.82 ALDH1A1 (0.55) ALDH1A1HTTLMNATSHRMEN1
SCHEMBL9320539 0.82 ALDH1A1 (0.44) ALDH1A1HTTLMNATSHRMEN1
SCHEMBL9320675 0.81 SMN1; SMN2 (0.61) ALDH1A1HTTLMNATSHRKMT2A
SCHEMBL29403021 0.81 SMN1; SMN2 (0.61) ALDH1A1HTTLMNATSHRKMT2A
SCHEMBL29406750 0.81 KDM4E (0.48) ALDH1A1HTTLMNATSHRMEN1
SCHEMBL17774612 0.81 PRKCI (0.49) ALDH1A1HTTLMNATSHRMEN1
SCHEMBL29451752 0.80 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7537342 0.80 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL17774564 0.80 GAA (0.53) ALDH1A1HTTLMNATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372315-B1 Reactive dyes based on copper formazane BASF AG (DE) 1994-01-26 EP disclosed
US-5245020-A Reactive dyes with two or three nitrogen-containing haloheterocycles as reactive system BASF AKTIENGESELLSCHAFT (DE) 1993-09-14 US disclosed
US-5149789-A Triazine dyes BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
US-5041540-A For dyeing or printing hydroxyl- or nitrogen-containing substrates BASF AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0391264-A1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF Aktiengesellschaft (DE) 1990-10-10 EP disclosed