SCHEMBL17936618

SCHEMBL17936618

O=S(=O)(O)c1ccccc1-c1c2cc/c(=N/c3ccccc3)cc-2oc2cc(Nc3ccccc3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3 P19429 2/20 0.40
TNNT2 P45379 2/20 0.40
TNNC1 P63316 2/20 0.40
HKDC1 Q2TB90 1/20 0.40
NSD2 O96028 2/20 0.38
CASP6 P55212 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
CASP7 P55210 1/20 0.38
PTPN11 Q06124 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SNCA P37840 2/20 0.36
CHAT P28329 1/20 0.36
USP2 O75604 3/20 0.36
NFKB1 P19838 2/20 0.36
KDM4A O75164 1/20 0.36
ALPL P05186 1/20 0.36
PLCG1 P19174 1/20 0.36

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
SCHEMBL24226783 1.00 TNNI3 (0.40) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL14405513 0.92 PHLPP2 (0.42) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL17936628 0.91 ALDH1A1 (0.36) TNNI3TNNT2TNNC1HKDC1L3MBTL1
SCHEMBL17552993 0.91 CA9 (0.37) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL16126452 0.89 PHLPP2 (0.43) TNNI3TNNT2TNNC1NSD2CASP6
SCHEMBL21450699 0.89 USP2 (0.35) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL16124829 0.89 PHLPP2 (0.43) TNNI3TNNT2TNNC1NSD2CASP6
SCHEMBL21450711 0.87 STK10 (0.33) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL17936619 0.85 USP2 (0.37) TNNI3TNNT2TNNC1NSD2CASP6
SCHEMBL20858848 0.84 CA9 (0.41) L3MBTL1SNCAUSP2ABCB1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670364-B2 Compound having xanthene skeleton, colorant composition, ink for inkjet recording, inkjet recording method, inkjet printer cartridge, and inkjet recording material FUJIFILM CORPORATION (JP) 2017-06-06 US disclosed
US-20160208102-A1 COMPOUND HAVING XANTHENE SKELETON, COLORANT COMPOSITION, INK FOR INKJET RECORDING, INKJET RECORDING METHOD, INKJET PRINTER CARTRIDGE, AND INKJET RECORDING MATERIAL FUJIFILM CORPORATION (JP) 2016-07-21 US disclosed