SCHEMBL9709787

SCHEMBL9709787

Cc1cc(Nc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
NPC1 O15118 2/20 0.51
GUSB P08236 1/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ACP1 P24666 2/20 0.43
CYP2C19 P33261 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
SCHEMBL9709791 0.90 LMNA (0.48) LMNANPC1GUSBMAPTPOLB
SCHEMBL9709841 0.86 AGTR1 (0.43) LMNAACP1
SCHEMBL3058746 0.84 AGTR1 (0.50) KMT2AACP1CYP2C19
SCHEMBL9315620 0.77 AGTR1 (0.35)
Hydrochloric Acid SCHEMBL9314540 0.76 AGTR1 (0.34) CYP2C19
SCHEMBL6635318 0.76 AGTR1 (0.54)
SCHEMBL31673809 0.75 LMNA (0.73) LMNANPC1GUSBMAPTPOLB
SCHEMBL15101603 0.75 LMNA (0.73) LMNANPC1GUSBMAPTPOLB
SCHEMBL7440794 0.75 MEN1 (0.39) LMNANPC1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL7840690 0.75 AGTR1 (0.53)

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-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO claimed
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed