SCHEMBL6978685

SCHEMBL6978685

O=C(Nc1ccc2ncccc2c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 1.00
NPC1 O15118 12/20 0.78
RAB9A P51151 11/20 0.78
POLB P06746 2/20 0.78
SMN1; SMN2 Q16637 4/20 0.76
ALDH1A1 P00352 3/20 0.76
CASP3 P42574 1/20 0.74
SENP8 Q96LD8 1/20 0.74
SENP7 Q9BQF6 1/20 0.74
SENP6 Q9GZR1 1/20 0.74
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
MAPT P10636 2/20 0.70
KDR P35968 1/20 0.69
PLAU P00749 1/20 0.64
TP53 P04637 1/20 0.64
NAMPT P43490 1/20 0.61
HTT P42858 1/20 0.61
MMP9 P14780 1/20 0.58
TRPV1 Q8NER1 1/20 0.57

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
SCHEMBL29429748 1.00 PABPC1 (1.00) PABPC1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL4434499 0.92 PABPC1 (0.85) PABPC1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL29647732 0.89 PABPC1 (0.80) PABPC1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL19631378 0.89 PABPC1 (0.80) PABPC1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL14082279 0.88 PABPC1 (0.79) PABPC1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL7101847 0.88 PABPC1 (0.79) PABPC1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL1681688 0.86 PABPC1 (0.75) PABPC1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL14462125 0.86 PABPC1 (0.74) PABPC1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL19631311 0.85 NPC1 (0.80) PABPC1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL19663016 0.85 PABPC1 (0.74) PABPC1NPC1RAB9APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed