SCHEMBL3899333

SCHEMBL3899333

ONc1cc(F)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
ACLY P53396 1/20 0.40
TSHR P16473 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL8159598 0.80 HTT (0.50) CA3CA6CA5ACA9CA14
SCHEMBL20119833 0.76 MAPT (0.45) HTTMAPTMEN1KMT2APOLB
SCHEMBL1275678 0.76 ALDH1A1 (0.40) KMT2AALDH1A1ACLY
SCHEMBL11405191 0.76 LMNA (0.46) SMN1; SMN2MAPTMEN1KMT2APKM
SCHEMBL28157779 0.75 CA3 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL29544738 0.75 ALDH1A1 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL27614646 0.75 CA3 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL1547786 0.75 CA3 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL124354 0.75 ALDH1A1 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL14548036 0.74 ATM (0.41) CA3CA6CA5ACA9CA14

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
US-11814519-B2 Nitric oxide-releasing 3D-printing compositions and uses thereof VIRGINIA COMMONWEALTH UNIVERSITY (US) 2023-11-14 US disclosed
US-20210301135-A1 NITRIC OXIDE-RELEASING 3D-PRINTING COMPOSITIONS AND USES THEREOF VIRGINIA COMMONWEALTH UNIVERSITY 2021-09-30 US disclosed
EP-1732577-A4 TOPICAL DELIVERY OF A NITRIC OXIDE DONOR TO IMPROVE BODY AND SKIN APPEARANCE STRATEGIC SCIENCE & TECHNOLOGI (US) 2009-03-18 EP disclosed
EP-1732577-A2 TOPICAL DELIVERY OF A NITRIC OXIDE DONOR TO IMPROVE BODY AND SKIN APPEARANCE Strategic Science & Technologies, LLC (US) 2006-12-20 EP disclosed
WO-2005081964-A2 TOPICAL DELIVERY OF A NITRIC OXIDE DONOR TO IMPROVE BODY AND SKIN APPEARANCE STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2005-09-09 WO disclosed