SCHEMBL9020740

SCHEMBL9020740

Cc1ccc(S(=O)(=O)Cc2ccc(NC(C)C)cc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
MEN1 O00255 1/20 0.38
PTBP1 P26599 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.37
CASP6 P55212 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL18474245 0.73 TDP1 (0.43) ALDH1A1HTTLMNASMN1; SMN2TDP1
SCHEMBL7868569 0.72 ALDH1A1 (0.43) ALDH1A1HTTLMNASMN1; SMN2TDP1
SCHEMBL5299443 0.70 TDP1 (0.46) ALDH1A1HTTLMNAPOLBSMN1; SMN2
SCHEMBL7911697 0.69 ALDH1A1 (0.38) ALDH1A1HTTLMNAPOLBMAPT
SCHEMBL8745509 0.69 ALDH1A1 (0.59) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL14509390 0.69 ALDH1A1 (0.53) ALDH1A1LMNAMAPTTDP1PKM
Ammonia Solution, Strong SCHEMBL28135606 0.69 TDP1 (0.44) ALDH1A1HTTLMNAPOLBSMN1; SMN2
SCHEMBL7875117 0.68 ALDH1A1 (0.42) ALDH1A1HTTLMNAPOLBMAPT
SCHEMBL13589509 0.67 TDP1 (0.48) ALDH1A1LMNASMN1; SMN2TDP1CA1
SCHEMBL16000115 0.66 ALDH1A1 (0.39) ALDH1A1HTTLMNAPOLBTDP1

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
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed