SCHEMBL9770626

SCHEMBL9770626

CCNc1c(N2CCOCC2)nc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 11/20 0.49
MAPK1 P28482 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
LMNA P02545 6/20 0.47
POLB P06746 2/20 0.47
THRB P10828 1/20 0.47
MGMT P16455 1/20 0.46
HPGD P15428 4/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 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
SCHEMBL9770534 0.83 LMNA (0.47) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL9770530 0.80 KDM4E (0.57) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL9770553 0.75 LMNA (0.51) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL14851001 0.74 TLR9 (0.55) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL9770634 0.73 LMNA (0.53) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL9770560 0.72 ALDH1A1 (0.54) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL1124006 0.72 MAPT (0.55) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL9770640 0.70 CTSB (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3399391 0.70 ALDH1A1 (0.47) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL9762334 0.69 ALDH1A1 (0.41) KDM4EMAPTALDH1A1MAPK1MEN1

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