SCHEMBL11657408

SCHEMBL11657408

CCN(CCC#N)c1cccc(C)c1.Nc1ccc(Oc2ccccc2)c(S(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ GFER P55789 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TBXA2R P21731 3/20 0.37
▸ GAA P10253 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
SCHEMBL11658806 0.88 KMT2A (0.43) ALDH1A1MEN1KMT2AKDM4ETHRB
SCHEMBL11653324 0.88 KMT2A (0.41) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11656425 0.85 POLB (0.43) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11655829 0.85 POLB (0.40) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11652096 0.81 POLB (0.42) ALDH1A1MEN1KMT2AKDM4ETHRB
SCHEMBL11652098 0.79 P2RX4 (0.40) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11659168 0.78 CA12 (0.36) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11659920 0.77 HSD17B10 (0.45) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL11653867 0.76 HSD17B10 (0.44) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11657237 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 — — US disclosed
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