SCHEMBL9564368

SCHEMBL9564368

c1cc(-c2cc(NCC3CC3)no2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.44
VCP P55072 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ATM Q13315 1/20 0.41
MLLT1 Q03111 1/20 0.41
MAPK1 P28482 1/20 0.40
PRKDC P78527 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
KDM6B O15054 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
GPR39 O43194 1/20 0.35
PRKCI P41743 1/20 0.34
PTPRS Q13332 1/20 0.34
PIM1 P11309 2/20 0.34
RET P07949 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
PIM2 Q9P1W9 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL9422419 0.82 HIF1A (0.49) HIF1AVCPKDM4EATMMLLT1
SCHEMBL9564402 0.75 VCP (0.49) HIF1AVCPKDM4EATMMLLT1
SCHEMBL9564361 0.72 RAB9A (0.49) HIF1AVCPEPHX2
SCHEMBL9564375 0.72 HIF1A (0.43) HIF1AKDM4EATMMLLT1MAPK1
SCHEMBL9911636 0.69 MLLT1 (0.63) MLLT1
SCHEMBL4136936 0.69 NOTUM (0.62) PRKDCHDAC3HDAC1PTPRSPIM1
SCHEMBL13096156 0.69 HIF1A (0.50) HIF1AKDM4EATMMLLT1MAPK1
SCHEMBL2943516 0.68 FYN (0.67) PIM1PIM2
SCHEMBL4145079 0.66 CYP1A2 (0.45) KDM4ERETCYP2A6
SCHEMBL1179640 0.66 ALDH1A1 (0.64) HDAC3HDAC1RET

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
EP-0563686-A1 Utilization of 3 substituted amino isoxazole derivatives against endoparasites, new 3 substituted amino isoxazols and process for their preparation BAYER AG (DE) 1993-10-06 EP disclosed