SCHEMBL6162492

SCHEMBL6162492

c1ccc2[nH]c(CCn3cnc4ccccc43)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 3/20 0.60
TDP1 Q9NUW8 1/20 0.58
HTT P42858 1/20 0.57
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DRD4 P21917 1/20 0.49
CHRNA7 P36544 1/20 0.48

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
SCHEMBL7745079 0.85 CYP11B1 (0.55) EGLN3TDP1HTTPOLBLMNA
Procodazole SCHEMBL7135555 0.84 EGLN3 (0.68) EGLN3TDP1HTTNPC1RAB9A
SCHEMBL3555349 0.82 MAPT (0.55) EGLN3TDP1HTTPOLBLMNA
SCHEMBL29549275 0.78 EGLN3 (0.65) EGLN3POLBNPC1RAB9ADRD4
SCHEMBL230157 0.76 POLB (0.84) POLBNPC1RAB9A
SCHEMBL6442808 0.76 TDP1 (1.00) EGLN3TDP1HTTNPC1RAB9A
SCHEMBL784573 0.73 HTT (1.00) EGLN3TDP1HTTLMNASMN1; SMN2
SCHEMBL4956690 0.73 POLB (0.72) HTTPOLBNPC1RAB9A
SCHEMBL6244548 0.73 POLB (0.72) HTTPOLBNPC1RAB9A
SCHEMBL7006523 0.72 POLB (1.00) POLBNPC1RAB9A

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
EP-0943008-B1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-11-09 EP disclosed
US-6355460-B1 DETECTING ENZYME INHIBITORS; INCUBATE ENZYME WITH MODULATOR, MONITOR SAMPLE FOR REDUCTION IN ENZYME ACTIVITY, REDUCTION IN ENZYME ACTIVITY INDICATES MODULATOR AXYS PHARMACEUTICALS, INC. 2002-03-12 US disclosed
US-6255091-B1 ASSAYING FOR ENHANCED INHIBITION OF SERINE PROTEASE IN A MEDIUM THAT IS DEVOID OF DISSACIATED DIVALENT METAL CATIONS AXYS PHARMACEUTICALS, INC. 2001-07-03 US disclosed
EP-0943008-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 1999-09-22 EP disclosed
WO-1998022619-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-05-28 WO disclosed