SCHEMBL8879172

SCHEMBL8879172

NCC(=O)c1cccc2cc(C(N)=O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.53
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
PARP1 P09874 5/20 0.43
SLC9A1 P19634 1/20 0.41
LCK P06239 1/20 0.41
PLAU P00749 3/20 0.40
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL6384957 0.85 ALDH1A1 (0.62) PTPN1ALDH1A1KDM4EGAAPARP1
SCHEMBL29463701 0.85 ALDH1A1 (0.62) PTPN1ALDH1A1KDM4EGAAPARP1
SCHEMBL7435452 0.78 PTPN1 (0.67) PTPN1ALDH1A1KDM4EMAPTHPGD
SCHEMBL15345512 0.78 PARP10 (0.49) PTPN1ALDH1A1KDM4EGAAPARP1
SCHEMBL23909566 0.77 PTPN1 (0.51) PTPN1ALDH1A1KDM4EGAAPARP1
Sebacic Acid SCHEMBL29833140 0.77 PTPN1 (0.51) PTPN1ALDH1A1KDM4EGAAPARP1
Hydrochloric Acid SCHEMBL29391682 0.76 PTPN1 (0.65) PTPN1ALDH1A1KDM4EMAPTHPGD
SCHEMBL13045132 0.75 PARP1 (0.50) PTPN1ALDH1A1KDM4EGAAPARP1
SCHEMBL30737381 0.75 PLAU (0.56) PTPN1ALDH1A1KDM4EGAAPARP1
SCHEMBL14491163 0.73 CYP1A2 (0.53) PTPN1ALDH1A1KDM4EGAAPARP1

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-5683691-A Bacillus thuringiensis insecticidal toxins PLANT GENETIC SYSTEMS, N.V. (BE) 1997-11-04 US disclosed