SCHEMBL6962584

SCHEMBL6962584

COc1ccc2c(c1)N(C(=O)CCCl)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.57
MAPT P10636 6/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 3/20 0.56
MAPK1 P28482 1/20 0.56
NOTUM Q6P988 4/20 0.52
TSHR P16473 2/20 0.48
ALDH1A1 P00352 3/20 0.47
XIAP P98170 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 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
SCHEMBL416024 0.92 BIRC2 (0.55) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL27165463 0.89 BIRC2 (0.60) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL30911987 0.84 BIRC2 (0.54) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6960928 0.83 BIRC2 (0.58) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL30912010 0.83 NOTUM (0.57) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6960678 0.82 DRD2 (0.58) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL26691241 0.82 NOTUM (0.58) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL27165447 0.82 BIRC2 (0.57) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6966671 0.81 NOTUM (0.64) BIRC2MAPTNOTUMTSHRALDH1A1
SCHEMBL7984550 0.80 NOTUM (0.60) BIRC2MAPTRAB9ASMN1; SMN2NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021098737-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF 上海枢境生物科技有限公司 2021-05-27 WO disclosed
EP-0807631-B1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2003-03-12 EP disclosed
US-5981752-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1999-11-09 US disclosed
US-5773618-A PYRROLOQUINOLINONE DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1998-06-30 US disclosed
EP-0807631-A1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-11-19 EP disclosed