SCHEMBL31320002

SCHEMBL31320002

CC(C)(C)CC(=O)c1ccn[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.52
ALOX15 P16050 7/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CDK2 P24941 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL5591290 0.75
SCHEMBL23367254 0.75
SCHEMBL18994368 0.75 HCAR2 (0.57) HCAR2ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL25005755 0.74 HDAC3 (0.54) HCAR2ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL211479 0.71
SCHEMBL13373393 0.71 HCAR2 (0.57) HCAR2ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL27496110 0.71 HCAR2 (0.70) HCAR2ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL20812638 0.70 ALOX15 (0.53) HCAR2ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL7165649 0.70 HCAR2 (0.52) HCAR2ALOX15NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1641189 0.70

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
CN-119219637-A Aromatic heterobicyclic compounds and antiviral uses thereof 苏州爱科百发生物医药技术有限公司 2024-12-31 CN disclosed