SCHEMBL2649299

SCHEMBL2649299

CCN(CC)C(=O)CN1CCCN(c2cccc(-n3cnc4cc(C(=O)OCCOC)ccc43)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.46
FGFR1 P11362 1/20 0.44
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL2648113 0.97 HPGD (0.49) HPGDFGFR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2647958 0.93 FGFR1 (0.44) HPGDFGFR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2649485 0.90 HPGD (0.50) HPGDFGFR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2652306 0.90 FGFR1 (0.48) HPGDFGFR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2649718 0.90 FGFR1 (0.47) HPGDFGFR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2649255 0.88 FGFR1 (0.47) HPGDFGFR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2654922 0.87 FGFR1 (0.49) HPGDFGFR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2652558 0.87 FGFR1 (0.52) HPGDFGFR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2651479 0.87 FGFR1 (0.51) HPGDFGFR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2652145 0.86 FGFR1 (0.48) HPGDFGFR1KMT2AALDH1A1SMN1; SMN2

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
WO-2002050057-A1 NOVEL BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF GABA-ALPHA MEDIATED DISORDERS NEUROSEARCH A/S (DK) 2002-06-27 WO claimed
WO-2002050057-A1 NOVEL BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF GABA-ALPHA MEDIATED DISORDERS NEUROSEARCH A/S (DK) 2002-06-27 WO disclosed