SCHEMBL11559777

SCHEMBL11559777

CCc1c(C)nn(C(=O)Cl)c1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ENPP3 O14638 6/20 0.33
ALPL P05186 6/20 0.33
XIAP P98170 6/20 0.33
ENPP1 P22413 3/20 0.33
ELANE P08246 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
IKBKB O14920 1/20 0.31
IKBKE Q14164 1/20 0.31
SQOR Q9Y6N5 1/20 0.30
PLAU P00749 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL11561756 0.85 MAPT (0.38) TSHRENPP3ALPLXIAPENPP1
SCHEMBL11558391 0.84 GAA (0.39) TSHRGAAALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL11559781 0.81 TSHR (0.38) TSHRSMN1; SMN2GAAALDH1A1NPC1
SCHEMBL11565278 0.75 TSHR (0.45) TSHRENPP3ALPLXIAPENPP1
SCHEMBL10279632 0.74 FAAH (0.41) TSHRELANESMN1; SMN2ALDH1A1MCL1
SCHEMBL11558205 0.74 ENPP3 (0.56) ENPP3ALPLXIAPENPP1ELANE
SCHEMBL9127491 0.73 NOS1 (0.32) TSHR
SCHEMBL5272700 0.70 ELANE (0.39) TSHRELANESMN1; SMN2ALDH1A1
SCHEMBL19007302 0.68 ALDH1A1 (0.65) GAAALDH1A1
SCHEMBL17382016 0.67 LMNA (0.46) SMN1; SMN2GAAALDH1A1NPC1RAB9A

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-4153710-A HYPOGLYCEMIC AGENTS STAROGARDZKIE ZAKLADY FARMACEUTYCZNE POLFA (PL) 1979-05-08 US disclosed