SCHEMBL5224110

SCHEMBL5224110

CN1CCN(c2cnn(-c3ccc(-c4ccc(F)cc4)cc3)c2-c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
NR3C1 P04150 1/20 0.47
MAP4K1 Q92918 2/20 0.46
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
MAPK14 Q16539 1/20 0.43
MEN1 O00255 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SCN9A Q15858 1/20 0.42
SLC2A1 P11166 1/20 0.41
SLC2A3 P11169 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
SLC6A7 Q99884 1/20 0.41
S1PR1 P21453 1/20 0.40

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
SCHEMBL5226503 0.91 LMNA (0.46) KMT2ASMN1; SMN2LMNAPOLBNR3C1
SCHEMBL5224173 0.82 ALDH1A1 (0.52) KMT2ASMN1; SMN2LMNAPOLBMAP4K1
SCHEMBL5224180 0.76 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2LMNAPOLBMAP4K1
SCHEMBL31276556 0.73 LMNA (0.58) KMT2ALMNANR3C1NPSR1MAPT
SCHEMBL11943538 0.72 ALDH1A1 (0.62) KMT2ASMN1; SMN2LMNAPOLBNPSR1
SCHEMBL11943535 0.71 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2LMNAPOLBNPSR1
SCHEMBL5737789 0.71 SMO (0.44) LMNANR3C1MAPTALDH1A1MAPK14
SCHEMBL30108226 0.70 MELK (0.60) KMT2ASMN1; SMN2MAP4K1MAPTALDH1A1
SCHEMBL31276318 0.70 PTGS2 (0.52) KMT2ASMN1; SMN2LMNANR3C1NPSR1
SCHEMBL15779176 0.70 PTGS2 (0.65) KMT2ASMN1; SMN2LMNANR3C1NPSR1

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
EP-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed