SCHEMBL7643121

SCHEMBL7643121

S=C(Nc1cc[c]cc1)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 19/20 0.58
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL3630011 0.84 QPCT (0.80) QPCT
SCHEMBL3628524 0.84 QPCT (0.80) QPCTNPC1RAB9A
SCHEMBL6814644 0.84 QPCT (0.59) QPCTNPC1RAB9A
SCHEMBL3630017 0.84 QPCT (0.80) QPCT
SCHEMBL3634735 0.84 QPCT (0.80) QPCTNPC1RAB9A
SCHEMBL3667914 0.81 QPCT (0.58) QPCTNPC1RAB9A
SCHEMBL3629554 0.81 QPCT (0.81) QPCTNPC1RAB9A
SCHEMBL6814638 0.80 QPCT (0.54) QPCTNPC1RAB9A
SCHEMBL3633563 0.80 QPCT (0.85) QPCT
SCHEMBL7908038 0.78 ALDH1A1 (0.41) QPCTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed