SCHEMBL28079062

SCHEMBL28079062

Cc1cccc(-c2cccc(C=O)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.48
KMO O15229 2/20 0.48
XDH P47989 1/20 0.45
IDO1 P14902 1/20 0.44
METAP2 P50579 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ENPP3 O14638 1/20 0.41
SDHB P21912 1/20 0.40
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 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
SCHEMBL18051394 0.88 TERT (0.42) TERTKMOXDHRAB9AACHE
SCHEMBL2321964 0.82 SMN1; SMN2 (0.41) TERTRAB9ANPC1KDM4EALDH1A1
SCHEMBL5981646 0.81 NPC1 (0.44) TERTRAB9ANPC1KDM4EALDH1A1
SCHEMBL3629467 0.81 IDO1 (0.55) KMOXDHIDO1METAP2RAB9A
SCHEMBL12538541 0.80 TRPV3 (0.45) TERTXDHRAB9AACHEALDH1A1
SCHEMBL1359228 0.80 MEN1 (0.60) TERTRAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4401764 0.79 IDO1 (0.53) KMOXDHIDO1METAP2RAB9A
SCHEMBL27972260 0.79 HSD17B14 (0.46) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL16179917 0.79 ALDH1A1 (0.59) TERTRAB9ANPC1KDM4EALDH1A1
SCHEMBL2320110 0.78 KMO (0.48) TERTKMO

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-103923105-B 2-indolizine Carbox amide and preparation thereof and purposes 北京大学 2016-08-24 CN disclosed