SCHEMBL25475152

SCHEMBL25475152

Cn1c(OC(=O)CCS)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.48
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL25475197 0.89 HDAC6 (0.47) HDAC6NPC1RAB9AHTTSMN1; SMN2
SCHEMBL11404384 0.82 RAB9A (0.51) HDAC6NPC1RAB9AHTTSMN1; SMN2
SCHEMBL28236281 0.79 SMN1; SMN2 (0.49) HDAC6NPC1RAB9AHTTSMN1; SMN2
SCHEMBL25736817 0.79 NR1H2 (0.40) HDAC6TSHRMAPTALDH1A1GAA
SCHEMBL1160658 0.78 MAPT (0.49) HDAC6NPC1RAB9AHTTSMN1; SMN2
SCHEMBL14369862 0.75 NPC1 (0.55) HDAC6NPC1RAB9AHTTTSHR
SCHEMBL30189629 0.70 SMN1; SMN2 (0.57) NPC1RAB9AHTTSMN1; SMN2MAPT
SCHEMBL459471 0.70 SMN1; SMN2 (0.57) NPC1RAB9AHTTSMN1; SMN2MAPT
SCHEMBL13543523 0.69 RAB9A (0.54) HDAC6NPC1RAB9AHTTSMN1; SMN2
SCHEMBL25736830 0.69 PIN1 (0.39) HTTTSHRMAPTALDH1A1GAA

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-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed