SCHEMBL9770550

SCHEMBL9770550

O=C1CCCCC1c1nc2ccccc2c([N+](=O)[O-])c1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ACHE P22303 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
ELANE P08246 1/20 0.40
MAPT P10636 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSB P07858 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9770572 0.91 KMT2A (0.44) LMNAACHEKMT2AMAPK1MEN1
SCHEMBL9770495 0.84 KDM4E (0.44) LMNAACHEALDH1A1ELANEMAPT
SCHEMBL9770632 0.84 KDM4E (0.44) LMNAACHEALDH1A1ELANEMAPT
SCHEMBL9770634 0.75 LMNA (0.53) LMNAACHEALDH1A1KMT2AMAPK1
SCHEMBL9770631 0.74 GAA (0.46) LMNAACHEALDH1A1KMT2AMEN1
SCHEMBL9770560 0.72 ALDH1A1 (0.54) LMNAALDH1A1KMT2AMAPK1MEN1
SCHEMBL9770534 0.70 LMNA (0.47) LMNAALDH1A1KMT2AMAPK1MEN1
SCHEMBL9770553 0.70 LMNA (0.51) LMNAALDH1A1KMT2AMAPK1MEN1
SCHEMBL9770600 0.67 LMNA (0.60) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL9770640 0.66 CTSB (0.54) LMNAALDH1A1KMT2AMAPK1MEN1

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
US-5019574-A 3,4-diaminoquinoline and 3,4-diamino-5,6,7,8-tetrahydroquinoline compounds useful for improving psychoneural function CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1991-05-28 US disclosed
EP-0361489-A2 Novel 3,4-diaminoquinoline and pyridine compounds Chugai Seiyaku Kabushiki Kaisha (JP) 1990-04-04 EP disclosed