SCHEMBL21153099

SCHEMBL21153099

CNc1ccc(CNC(=O)OC)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN1 P18031 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 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
SCHEMBL7252186 0.88 TSHR (0.69) TSHRSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL732456 0.83 NAMPT (0.57) CA1CA2MAPT
SCHEMBL694352 0.81 NPC1 (0.53) TSHRSMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL3598004 0.81 TSHR (0.61) TSHRSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL13477518 0.81 KMT2A (0.61) SMN1; SMN2NPC1ALDH1A1RAB9APTPN1
SCHEMBL10117993 0.81 TSHR (0.61) TSHRSMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL3598006 0.81 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL22837260 0.80 ALDH1A1 (0.59) TSHRSMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL3006709 0.79 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1
SCHEMBL2721206 0.79 ALDH1A1 (0.65) TSHRSMN1; SMN2NPC1ALDH1A1RAB9A

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
WO-2019136487-A2 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed