SCHEMBL2646511

SCHEMBL2646511

CC(C)c1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
IDO1 P14902 1/20 0.44
FGFR1 P11362 8/20 0.43
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL2653789 0.91 IDO1 (0.42) HPGDIDO1FGFR1NCOA3CYP3A4
SCHEMBL2659620 0.89 FGFR1 (0.43) HPGDIDO1FGFR1NCOA3CYP3A4
SCHEMBL2653121 0.89 FGFR1 (0.43) HPGDIDO1FGFR1CYP11B1CYP11B2
SCHEMBL2655096 0.86 SMN1; SMN2 (0.42) HPGDIDO1FGFR1ALDH1A1RAB9A
SCHEMBL2656896 0.84 FGFR1 (0.45) HPGDIDO1FGFR1CYP19A1CYP3A4
SCHEMBL2647252 0.84 FGFR1 (0.62) HPGDIDO1FGFR1NCOA3CYP3A4
SCHEMBL2656192 0.84 IDO1 (0.49) HPGDIDO1FGFR1CYP19A1CYP11B1
SCHEMBL2659275 0.83 FGFR1 (0.39) HPGDIDO1FGFR1MAPT
SCHEMBL2646018 0.82 FGFR1 (0.58) HPGDFGFR1HTT
SCHEMBL2662404 0.82 FGFR1 (0.38) HPGDIDO1FGFR1ALDH1A1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP claimed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US claimed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP claimed
EP-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP disclosed
US-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP disclosed