SCHEMBL11515499

SCHEMBL11515499

NCCNCCNC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5B Q9Y2D0 6/20 0.55
CA12 O43570 5/20 0.55
CA6 P23280 5/20 0.55
CA7 P43166 5/20 0.55
CA9 Q16790 5/20 0.55
CA14 Q9ULX7 5/20 0.55
CA5A P35218 5/20 0.55
CA3 P07451 4/20 0.55
CA2 P00918 4/20 0.55
CA4 P22748 4/20 0.55
ALOX15 P16050 3/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CA1 P00915 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 2/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL29270038 1.00 CA5B (0.55) CA5BCA12CA6CA7CA9
SCHEMBL30973705 0.89 CA5A (0.41) CA5BCA12CA6CA7CA9
SCHEMBL1155049 0.84
SCHEMBL27353046 0.82 CA5B (0.58) CA5BCA12CA6CA7CA9
SCHEMBL4412170 0.82 CA5B (0.58) CA5BCA12CA6CA7CA9
Bromide SCHEMBL3701110 0.81
Hydrochloric Acid SCHEMBL12469892 0.81
Carbamic Acid SCHEMBL1421167 0.81 CA12 (0.65) CA5BCA12CA6CA7CA9
Urea SCHEMBL1662263 0.81 CA12 (0.67) CA5BCA12CA6CA7CA9
SCHEMBL175234 0.81 TDP1 (0.46) CA9CA5ACA2ALOX15LMNA

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
CN-114100382-B Modified PVDF (polyvinylidene fluoride) film with demulsification performance and preparation method thereof 上海应用技术大学 2024-06-28 CN disclosed
US-20110151263-A1 MULTILAYER GROWTH BY GAS PHASE DEPOSITION LINFORD MATTHEW R 2011-06-23 US disclosed
WO-2010001041-A2 COSMETIC COMPOSITION, COSMETIC TREATMENT METHOD, AND COMPOUND L'OREAL (FR) 2010-01-07 WO disclosed
US-4166002-A POLYAMINOAMIDE WITH CARBOXY OR SULFONIC ACID GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1979-08-28 US disclosed
US-3932363-A PAPERMAKING BAYER AKTIENGESELLSCHAFT (DT) 1976-01-13 US disclosed