SCHEMBL28680870

SCHEMBL28680870

O=C(Nc1ncccc1Br)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
GSK3B P49841 4/20 0.46
JAK2 O60674 8/20 0.45
TYK2 P29597 8/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ACVRL1 P37023 1/20 0.44
GSK3A P49840 1/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL21222934 0.84 GAA (0.46) HPGDGSK3BRAB9AHTT
SCHEMBL14818761 0.81 SMN1; SMN2 (0.57) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18640737 0.79 DHODH (0.54) HPGDGSK3BJAK2TYK2LMNA
SCHEMBL31139248 0.78 JAK2 (0.49) HPGDGSK3BJAK2TYK2LMNA
SCHEMBL15104669 0.78 RAB9A (0.46) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL27833750 0.77 GSK3B (0.49) HPGDGSK3BGSK3AKMT2A
SCHEMBL14803573 0.77 TRPV1 (0.46) HPGDGSK3BJAK2TYK2LMNA
SCHEMBL374899 0.76 KMT2A (0.46) SMN1; SMN2NPC1RAB9AMEN1HTT
SCHEMBL6902503 0.76 MAPT (0.42) HPGDLMNASMN1; SMN2NPC1RAB9A
SCHEMBL25241815 0.76 TYK2 (0.50) HPGDGSK3BJAK2TYK2LMNA

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-113767101-A Novel indole-2-carboxamides having anti-Hepatitis B Virus (HBV) activity 艾库里斯有限及两合公司 2021-12-07 CN disclosed