SCHEMBL27361728

SCHEMBL27361728

c1cc(-c2ccc3cc[nH]c3c2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
AHR P35869 3/20 0.46
CMA1 P23946 1/20 0.46
TYR P14679 1/20 0.46
DYRK1B Q9Y463 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
APP P05067 1/20 0.42
ENPP2 Q13822 2/20 0.42
CYP2A6 P11509 1/20 0.42
CHRNA7 P36544 3/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL28426600 0.79 CA12 (0.37) MAPK1KDM4EALDH1A1HPGD
SCHEMBL4173625 0.76 CYP1A2 (0.50) KDM4EALDH1A1HPGD
SCHEMBL30574690 0.75 GHSR (0.48) BRD4MEN1POLBMAPK1KMT2A
SCHEMBL2459910 0.75 GHSR (0.48) BRD4MEN1POLBMAPK1KMT2A
SCHEMBL16766999 0.75 LMNA (0.36) MEN1POLBMAPK1KMT2A
SCHEMBL4786964 0.73 AHR (0.49) BRD4AHRCMA1TYRDYRK1B
SCHEMBL28313237 0.73
SCHEMBL15566769 0.72 AHR (0.52) BRD4MEN1POLBMAPK1KMT2A
SCHEMBL18000228 0.72 BRAF (0.58) BRD4AHRCMA1TYRCHRNA7
SCHEMBL2460991 0.71 BRD4 (0.44) BRD4MEN1POLBMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1059210-C Process for preparing 6-heterocyclic-4-amino-1, 3,4, 5-tetrahydrobenz [ cd ] indoles and their pharmaceutically acceptable acid addition salts LILLY CO ELI (US) 2000-12-06 CN disclosed
CN-1268352-A Method for preparing medicinal prepns. contg. 6-heterocycle-4-amino-1,3,4,5-tetrabenzo [cd] indole LILLY CO ELI (US) 2000-10-04 CN disclosed
CN-1056144-C 6-heterocyclic-4-amino1,3,4,5-tetrahydrobenz{CD}indoles for treating motion sickness and vomiting LILLY CO ELI (US) 2000-09-06 CN disclosed
CN-1094724-A 6-heterocycle-4-the amino-1,3,4 that is used for the treatment of motion sickness and vomiting sickness, 5-tetrahydro benzo [cd] indoles LILLY CO ELI (US) 1994-11-09 CN disclosed
CN-1066071-A 6-heterocyclic radical-4-amino-1,2,2a, 3,4, the 5-hexahydrobenzene is [cd] indoles also LILLY CO ELI (US) 1992-11-11 CN disclosed
CN-1066072-A 6-heterocyclic-4-amino-1, 3, 4, 5-tetrahydrobenzo [ cd ] indoles LILLY CO ELI (US) 1992-11-11 CN disclosed