SCHEMBL7633014

SCHEMBL7633014

O=C1OS(=O)(=O)c2cccc1c2C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
CA12 O43570 6/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
CA1 P00915 4/20 0.36
CA7 P43166 4/20 0.36
CA14 Q9ULX7 3/20 0.36
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 3/20 0.35
CA4 P22748 2/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
BCHE P06276 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL6995287 0.90 GPR3 (0.39) CHEK1CA12CA2CA9CA1
SCHEMBL30006698 0.74 GPR3 (0.48) CA12CA2CA9CA1CA7
SCHEMBL111049 0.74 GPR3 (0.48) CA12CA2CA9CA1CA7
SCHEMBL2872511 0.70 TYMS (0.50) KMT2AKDM4EUSP2BCHEMEN1
SCHEMBL6995824 0.70 MCL1 (0.41) CHEK1KMT2ALMNAUSP2MEN1
SCHEMBL8407445 0.70 CHEK1 (0.54) CHEK1CA12CA2CA9CA7
SCHEMBL8032854 0.67 ALDH1A1 (0.43) CA12CA2CA9CA1CA7
1,6-Hexanediol SCHEMBL10762750 0.67 KCNA3 (0.38) CHEK1CA12CA2CA9CA1
SCHEMBL10952477 0.63 FOLH1 (0.38) CHEK1CA12CA9CA1CA7
SCHEMBL8533479 0.62 CHEK1 (0.39) CHEK1KMT2ALMNAMEN1ALDH1A1

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-6458912-B1 1,3-BIS(4-AMINOPHENOXY)BENZENE REPRESENTED BY THE CHEMICAL FORMULA (3) FOR PRODUCTION OF THE ABOVE POLYIMIDE, CHARACTERIZED IN THAT THE CONTENT OF AN AZO COMPOUND IS FROM 0.0 TO 0.2%. THE THERMOPLASTIC POLYIMIDE OF THE PRESENT MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-1090945-A1 CRYSTALLINE POLYIMIDE FOR MELT MOLDING WITH SATISFACTORY THERMAL STABILITY Mitsui Chemicals, Inc. (JP) 2001-04-11 EP disclosed