SCHEMBL8196890

SCHEMBL8196890

C=C(OCC)c1nc2cc(F)ccc2c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.42
TSHR P16473 1/20 0.41
ENPP1 P22413 1/20 0.41
TYMS P04818 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP13 P45452 2/20 0.38
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
CASP3 P42574 1/20 0.36
TNKS O95271 2/20 0.36
PARP1 P09874 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36

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
SCHEMBL8189588 0.87 LMNA (0.43) TSHRKDM4EHPGDALDH1A1HSD17B10
SCHEMBL13343558 0.86 TSHR (0.51) PARP14TSHRENPP1KDM4EHTT
SCHEMBL8190554 0.85 KDM4E (0.40) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL8200741 0.82 TNKS2 (0.53) KDM4EHPGDALDH1A1MMP13TOP2A
SCHEMBL31716664 0.82 TNKS2 (0.53) KDM4EHPGDALDH1A1MMP13TOP2A
SCHEMBL8196893 0.81 MAPT (0.43) KDM4EALDH1A1LMNASMN1; SMN2TNKS
SCHEMBL8198084 0.80 KDM4E (0.46) PARP14TYMSKDM4EHPGDALDH1A1
SCHEMBL8199597 0.79 KDM4C (0.59)
SCHEMBL8195657 0.78 PARP1 (0.46) TYMSKDM4EHPGDALDH1A1HSD17B10
SCHEMBL161361 0.76 ALDH1A1 (0.56) TSHRTYMSKDM4EHPGDALDH1A1

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
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed