SCHEMBL8943046

SCHEMBL8943046

CC([C]=O)Nc1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
KDR P35968 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MITF O75030 1/20 0.47
XBP1 P17861 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
ALPL P05186 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
CYP1A2 P05177 1/20 0.45
ACP1 P24666 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
SCHEMBL8943054 1.00 KDM4E (0.50) KDM4ERAB9ANPC1SMN1; SMN2POLB
SCHEMBL12890527 0.82 NPSR1 (0.53) KDM4ERAB9ANPC1SMN1; SMN2POLB
SCHEMBL661286 0.78 KDM4E (0.59) KDM4ERAB9ANPC1SMN1; SMN2POLB
SCHEMBL9057065 0.78 KDM4E (0.59) KDM4ERAB9ANPC1SMN1; SMN2POLB
SCHEMBL781092 0.78 KDM4E (0.59) KDM4ERAB9ANPC1SMN1; SMN2POLB
SCHEMBL29516918 0.78 KDM4E (0.59) KDM4ERAB9ANPC1SMN1; SMN2POLB
SCHEMBL349142 0.77 KDR (0.55) KDM4ERAB9ANPC1SMN1; SMN2POLB
SCHEMBL1713200 0.76 RAB9A (0.47) KDM4ERAB9ANPC1SMN1; SMN2POLB
SCHEMBL1713201 0.76 RAB9A (0.47) KDM4ERAB9ANPC1SMN1; SMN2POLB
SCHEMBL6904472 0.76 RAB9A (0.47) KDM4ERAB9ANPC1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
EP-0738154-A1 N-TERMINUS MODIFIED ANALOGS OF LHRH Abbott Laboratories (US) 1996-10-23 EP disclosed
EP-0738154-A4 N-TERMINUS MODIFIED ANALOGS OF LHRH ABBOTT LAB (US) 1996-04-12 EP disclosed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US disclosed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP disclosed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP disclosed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP disclosed