SCHEMBL7994968

SCHEMBL7994968

COC(=O)Oc1nccnc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 2/20 0.32
CUL4A Q13619 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
GRM4 Q14833 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCR4 P51679 2/20 0.31
TSHR P16473 1/20 0.31
CHRNB2 P17787 1/20 0.30

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
SCHEMBL4944664 0.80 KDM4E (0.39) KDM4EHPGDHSD17B10POLBALDH1A1
SCHEMBL22583086 0.79 ALDH1A1 (0.39) ATRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL4535342 0.78 CHRNB2 (0.34) KDM4EPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL2636627 0.78 KDM4E (0.34) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL11253057 0.78 CHRNB2 (0.36) POLBSMN1; SMN2LMNARAB9ACHRNB2
SCHEMBL18398770 0.78 LMNA (0.39) KDM4EPOLBSMN1; SMN2LMNARAB9A
SCHEMBL6186076 0.77 HSD17B10 (0.33) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL4632562 0.77 PRKCI (0.38) ATRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL28711249 0.76 RAB9A (0.36) SMN1; SMN2LMNARAB9ATSHRCHRNB2
SCHEMBL4535346 0.74 SMN1; SMN2 (0.34) POLBALDH1A1SMN1; SMN2LMNANPC1

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-2001085715-A2 AZA- AND POLYAZANTHRANYL AMIDES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2001-11-15 WO disclosed