SCHEMBL7483471

SCHEMBL7483471

COc1cc2c(cc1OCc1ccccc1)C(Br)CN(Nc1ccncc1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.44
PDE4B Q07343 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
Hydrochloric Acid SCHEMBL7480209 0.99 CHRNA7 (0.44) CHRNA7PDE4BLMNAKDM4EUSP2
SCHEMBL7477683 0.81 CHRNA7 (0.62) CHRNA7PDE4BLMNAKDM4EUSP2
SCHEMBL7478156 0.70 CHRNA7 (0.42) CHRNA7LMNAKDM4EUSP2ALDH1A1
SCHEMBL7475383 0.68 KMT2A (0.46) CHRNA7LMNAKDM4EUSP2ALDH1A1
Hydrochloric Acid SCHEMBL7481541 0.67 MEN1 (0.39) CHRNA7LMNAKDM4EUSP2ALDH1A1
SCHEMBL3041638 0.67 REV1 (0.74) CHRNA7PDE4BKDM4EALDH1A1TSHR
SCHEMBL7478927 0.66 HRH3 (0.56) CHRNA7
SCHEMBL8793776 0.65 REV1 (0.70) CHRNA7PDE4BHSD17B10NPC1RAB9A
SCHEMBL7477137 0.65 SLC6A2 (0.35)
SCHEMBL17538296 0.64 PLK1 (0.45) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP claimed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO claimed