SCHEMBL22030883

SCHEMBL22030883

COc1ccc(C(=O)N2C3CC2CN(SC)C3)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.44
TAS1R3 Q7RTX0 5/20 0.41
TAS1R1 Q7RTX1 5/20 0.41
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.38
THRB P10828 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
SCHEMBL22811914 0.86 RET (0.46) RETTAS1R3TAS1R1HSD11B1ALDH1A1
SCHEMBL18713100 0.86 ALDH1A1 (0.50) RETTAS1R3TAS1R1HSD11B1ALDH1A1
SCHEMBL20070594 0.86 CPS1 (0.48) RETTAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL20152357 0.83 RET (0.46) RETTAS1R3TAS1R1HSD11B1ALDH1A1
SCHEMBL18389841 0.83 TAS1R3 (0.46) RETTAS1R3TAS1R1HSD11B1ALDH1A1
SCHEMBL20071172 0.83 TAS1R3 (0.46) RETTAS1R3TAS1R1HSD11B1ALDH1A1
SCHEMBL18389839 0.81 TAS1R3 (0.44) RETTAS1R3TAS1R1HSD11B1ALDH1A1
SCHEMBL10244040 0.73 DRD2 (0.44) TAS1R3TAS1R1ALDH1A1TP53KMT2A
SCHEMBL17350650 0.73 DRD2 (0.44) TAS1R3TAS1R1ALDH1A1TP53KMT2A
SCHEMBL18713099 0.72 HTT (0.51) RETTAS1R3TAS1R1ALDH1A1MEN1

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-3523301-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-05-27 EP disclosed