SCHEMBL2651053

SCHEMBL2651053

COC(=O)CN1CCC(c2cccc(-n3cnc4cc(C(=O)OCCO)ccc43)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.48
HPGD P15428 14/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2650483 0.93 FGFR1 (0.48) FGFR1HPGDTP53MAPTKMT2A
SCHEMBL2648756 0.93 KMT2A (0.46) FGFR1HPGDTP53MAPTKMT2A
SCHEMBL2649710 0.89 HPGD (0.47) FGFR1HPGDTP53MAPTKMT2A
SCHEMBL2647728 0.88 FGFR1 (0.52) FGFR1HPGDKMT2ASMN1; SMN2NPC1
SCHEMBL2648584 0.87 KMT2A (0.47) FGFR1HPGDTP53MAPTKMT2A
SCHEMBL2653222 0.84 FGFR1 (0.48) FGFR1HPGDTP53MAPTKMT2A
SCHEMBL2649464 0.83 HPGD (0.47) FGFR1HPGDTP53MAPTKMT2A
SCHEMBL2649104 0.82 FGFR1 (0.51) FGFR1HPGDTP53MAPTKMT2A
SCHEMBL2651449 0.82 HPGD (0.50) FGFR1HPGDTP53MAPTKMT2A
SCHEMBL2648174 0.81 HPGD (0.46) FGFR1HPGDKMT2ASMN1; SMN2NPC1

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