SCHEMBL11488993

SCHEMBL11488993

CCOC(=O)Cc1ccc(NN)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
CYP4Z1 Q86W10 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 2/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
NLRP3 Q96P20 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PPIB P23284 1/20 0.41
PPIA P62937 1/20 0.41
PPID Q08752 1/20 0.41

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
SCHEMBL13874195 0.87 ALDH1A1 (0.53) MAPTSMN1; SMN2TSHRJAK2JAK1
SCHEMBL11495957 0.83 CYP4Z1 (0.44) MAPTSMN1; SMN2TSHRCYP4Z1L3MBTL1
SCHEMBL2646637 0.82 TSHR (0.60) MAPTSMN1; SMN2TSHRCYP4Z1L3MBTL1
SCHEMBL31441301 0.82 TSHR (0.60) MAPTSMN1; SMN2TSHRCYP4Z1L3MBTL1
SCHEMBL90470 0.81 CYP3A4 (0.49) MAPTSMN1; SMN2TSHRCYP4Z1JAK2
Hydrochloric Acid SCHEMBL90469 0.79 MAPT (0.50) MAPTSMN1; SMN2TSHRCYP4Z1JAK2
SCHEMBL1558288 0.79 CA2 (0.60) MAPTSMN1; SMN2TSHRL3MBTL1ALOX15
SCHEMBL4154916 0.79 CA2 (0.59) MAPTSMN1; SMN2TSHRNFKB1RAB9A
SCHEMBL11009839 0.78 MAPT (0.42) MAPTSMN1; SMN2TSHRCYP4Z1JAK2
SCHEMBL13742793 0.78 MAPT (0.48) MAPTSMN1; SMN2TSHRCYP4Z1L3MBTL1

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-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 US disclosed