SCHEMBL10143800

SCHEMBL10143800

COc1ccc(Nc2nc(N3CCCCC3)c3cnn(-c4ccccc4)c3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
LMNA P02545 6/20 0.67
HTT P42858 5/20 0.67
ALDH1A1 P00352 5/20 0.67
KMT2A Q03164 4/20 0.67
HPGD P15428 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
NPSR1 Q6W5P4 3/20 0.67
MEN1 O00255 3/20 0.67
RECQL P46063 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
ALOX12 P18054 1/20 0.67
CYP2C19 P33261 1/20 0.67
POLB P06746 3/20 0.64
TAAR1 Q96RJ0 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
RAB9A P51151 3/20 0.57
TP53 P04637 2/20 0.57

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
SCHEMBL10143801 0.90 MERTK (0.68) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL10143802 0.82 PIK3CA (0.60) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL1355752 0.76 EIF2AK4 (0.62) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL16244524 0.73 HTR2C (0.64) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL10143799 0.73 PIK3CA (0.76) LMNAHTTALDH1A1HPGDSLC2A1
SCHEMBL15452542 0.71 HTR2C (0.67) MAPTALDH1A1KMT2ANPSR1MEN1
SCHEMBL8891812 0.71 MAPT (0.72) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL14503015 0.70 MEN1 (0.75) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL1353701 0.69 EIF2AK4 (0.60)
SCHEMBL13759183 0.69 LMNA (0.52) MAPTLMNAHTTALDH1A1KMT2A

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
WO-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 WO disclosed