SCHEMBL14732175

SCHEMBL14732175

CCn1c(CNc2ccc(C)c(Cl)c2)nnc1Sc1ccc2ccccc2c1NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SLC27A1 Q6PCB7 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PTGES O14684 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL14732160 0.89 TSHR (0.54) ALDH1A1MAPK1LMNATSHRSLC27A1
SCHEMBL14732107 0.83 RORC (0.45) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL14732174 0.78 SMN1; SMN2 (0.63) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL19368234 0.69 MAPT (0.64) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL14732159 0.67 SMN1; SMN2 (0.67) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL14732156 0.66 SMN1; SMN2 (0.63) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL4215011 0.66 ALDH1A1 (0.79) KMT2AMAPTMEN1CYP3A4ALDH1A1
SCHEMBL20194455 0.62 KCNJ11 (0.59) KMT2AMAPTMEN1ALDH1A1TSHR
SCHEMBL30640474 0.62 KCNJ11 (0.59) KMT2AMAPTMEN1ALDH1A1TSHR
SCHEMBL14732106 0.62 SMN1; SMN2 (0.61) KMT2AMAPTMEN1CYP3A4ALDH1A1

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-8389739-B1 Modulators of retinoid-related orphan receptor gamma Orphagen Pharmaceuticals (US) 2013-03-05 — — US disclosed
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