SCHEMBL5205051

SCHEMBL5205051

Nc1ncc(Oc2ccc(Cl)cc2)c(NCC(O)CO)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.38
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 1/20 0.38
CCNT1 O60563 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CDK9 P50750 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
MAPT P10636 2/20 0.35
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
POLB P06746 1/20 0.34
LTA4H P09960 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5204141 0.89 KCNH2 (0.36) SCN9AKCNH2SCN5ACCNT1CCNC
Hydrochloric Acid SCHEMBL5205951 0.86 KCNH2 (0.40) SCN9AKCNH2SCN5ACCNT1CCNC
SCHEMBL5205013 0.83 KCNH2 (0.40) SCN9AKCNH2SCN5ACCNT1CCNC
SCHEMBL1375417 0.82 SCN9A (0.40) SCN9AKCNH2SCN5ACCNT1CCNC
SCHEMBL1376217 0.81 NUDT1 (0.43) SCN9AKCNH2SCN5ACCNT1CCNC
SCHEMBL5202871 0.80 STK17A (0.42) SCN9AKCNH2SCN5ACCNT1CCNC
SCHEMBL1379499 0.80 MEN1 (0.39) SCN9AKCNH2SCN5ACCNT1CCNC
SCHEMBL5207386 0.80 STK17A (0.42) SCN9AKCNH2SCN5ACCNT1CCNC
SCHEMBL7714115 0.80 STK17A (0.38) SCN9AKCNH2SCN5ACCNT1CCNC
SCHEMBL5204559 0.79 STK17A (0.41) SCN9AKCNH2SCN5ACCNT1CCNC

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
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US disclosed