SCHEMBL22812232

SCHEMBL22812232

CN1CCC2(CC1)CN2S(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
CYP1A2 P05177 5/20 0.56
CYP3A4 P08684 5/20 0.56
CYP2D6 P10635 5/20 0.56
POLB P06746 2/20 0.56
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
ALDH1A1 P00352 4/20 0.43
USP2 O75604 2/20 0.43
HTR6 P50406 3/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 3/20 0.43

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
SCHEMBL20154516 0.86 KMT2A (0.50) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL21159015 0.83 MAPT (0.49) TSHRCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL20148744 0.83 CYP2D6 (0.47) TSHRCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL20153278 0.82 NPC1 (0.54) TSHRMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20626520 0.81 MAPT (0.43) TSHRCYP1A2CYP3A4CYP2D6POLB
SCHEMBL20365006 0.76 TSHR (0.55) TSHRCYP1A2CYP3A4CYP2D6POLB
SCHEMBL21540450 0.75 MAPT (0.53) TSHRCYP1A2CYP3A4CYP2D6POLB
SCHEMBL20153188 0.74 RET (0.47) SMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL1000444 0.73 MAPT (0.64) TSHRCYP1A2CYP3A4CYP2D6POLB
SCHEMBL16980489 0.72 MAPT (0.50) TSHRCYP1A2CYP3A4CYP2D6POLB

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-3753939-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma Inc. (US) 2020-12-23 EP disclosed