SCHEMBL2646699

SCHEMBL2646699

c1ccc(-c2ccc3c(c2)ncn3-c2cccc(-n3ccnc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CYP3A4 P08684 1/20 0.48
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
FGFR1 P11362 6/20 0.46
IDO1 P14902 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2643078 0.86 CYP3A4 (0.49) KDRMEN1KMT2AALOX15TSHR
SCHEMBL2656192 0.85 IDO1 (0.49) MEN1KMT2ACYP3A4MAOAMAOB
SCHEMBL20510883 0.84 FGFR1 (0.58) CYP3A4FGFR1IDO1HTT
SCHEMBL2646402 0.83 GABRA1 (0.55) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL7828544 0.83 ALDH1A1 (0.42) KDRMEN1KMT2AALOX15TSHR
SCHEMBL2647252 0.82 FGFR1 (0.62) CYP3A4FGFR1IDO1ALDH1A1RAB9A
SCHEMBL2643461 0.82 IDO1 (0.40) KDRMEN1KMT2AALOX15TSHR
SCHEMBL16158488 0.81 CYP11B1 (0.53) MEN1KMT2AALOX15TSHRCYP3A4
SCHEMBL12135624 0.81 KDR (0.76) KDRFGFR1ALDH1A1HTT
SCHEMBL2646443 0.81 KDR (0.57) KDRMAOAMAOBFGFR1

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 8 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-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US 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