SCHEMBL7082394

SCHEMBL7082394

[Li]c1ccnn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
CYP2C9 P11712 7/20 0.43
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
PAX8 Q06710 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40
S1PR4 O95977 1/20 0.40
THRB P10828 1/20 0.40
XBP1 P17861 1/20 0.40
S1PR1 P21453 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 3/20 0.38
CYP2C18 P33260 3/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL433371 0.73 POLB (1.00) POLBCYP2C9ALDH1A1NPC1RAB9A
SCHEMBL10280912 0.73 POLB (0.57) POLBCYP2C9ALDH1A1NPC1RAB9A
SCHEMBL27906302 0.73 POLB (0.57) POLBCYP2C9ALDH1A1NPC1RAB9A
SCHEMBL17227421 0.73 POLB (0.57) POLBCYP2C9ALDH1A1NPC1RAB9A
SCHEMBL411379 0.73 POLB (0.57) POLBCYP2C9ALDH1A1NPC1RAB9A
SCHEMBL5318677 0.73 POLB (0.57) POLBCYP2C9ALDH1A1NPC1RAB9A
SCHEMBL8674209 0.73 POLB (0.57) POLBCYP2C9ALDH1A1NPC1RAB9A
SCHEMBL5579308 0.73 POLB (0.57) POLBCYP2C9NPC1RAB9AKDM4E
SCHEMBL255499 0.73 POLB (0.57) POLBCYP2C9ALDH1A1NPC1RAB9A
SCHEMBL1155787 0.71 MDM2 (0.55) POLBCYP2C9ALDH1A1NPC1RAB9A

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-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 EP disclosed
US-5739149-A TREATING ASTHMA ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5635509-A ASTHMA; BRONCHODILATOR AGENTS; VASODILATION MICROVASCULAR PERMEABILITY; MAST CELLS ZENECA LIMITED (GB) 1997-06-03 US disclosed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP disclosed