SCHEMBL7159348

SCHEMBL7159348

O=C1CCCN(c2ncncc2Cc2ccc(Br)cc2Cl)C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE2A O00408 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
MC4R P32245 1/20 0.30
KMT2A Q03164 1/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL7164341 0.90 PDE2A (0.34) HTTALDH1A1NPSR1KDM4EPDE2A
SCHEMBL7163401 0.89 ALDH1A1 (0.42) HTTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL7160303 0.87 CCR5 (0.36) HTTALDH1A1NPSR1KDM4ERECQL
SCHEMBL7164355 0.86 PDE3B (0.34) HTTALDH1A1NPSR1KDM4EKMT2A
SCHEMBL7163517 0.85 RPS6KB1 (0.40) HTTALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL7159488 0.85 PDE3B (0.35) NPSR1
SCHEMBL5207721 0.84 TRAP1 (0.36) RECQL
SCHEMBL7160676 0.80 MAPK1 (0.39) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7159379 0.76 PIK3CA (0.36) HTTALDH1A1NPSR1KDM4EPDE2A
SCHEMBL7163830 0.76 ALDH1A1 (0.43) HTTALDH1A1NPSR1KDM4ELMNA

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-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
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