SCHEMBL9725381

SCHEMBL9725381

CN(C)CCCn1c(=O)[nH]c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.71
MPO P05164 4/20 0.64
LMNA P02545 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
POLB P06746 1/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
KMT2A Q03164 1/20 0.59
XDH P47989 2/20 0.56
HTR7 P34969 4/20 0.53
P2RX7 Q99572 1/20 0.50

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
SCHEMBL4649316 0.95 MPO (0.71) RAB9AMPOLMNAALDH1A1HPGD
SCHEMBL4419395 0.91 MEN1 (0.63) RAB9AMPOLMNAALDH1A1HPGD
Hydrochloric Acid SCHEMBL9725349 0.89 RAB9A (0.64) RAB9AMPOLMNAALDH1A1HPGD
SCHEMBL30947438 0.85 LMNA (0.78) RAB9ALMNAALDH1A1HPGDMAPT
SCHEMBL9395794 0.85 MPO (0.56) RAB9AMPOLMNAALDH1A1HPGD
SCHEMBL6902600 0.83 RAB9A (0.72) RAB9ALMNAALDH1A1HPGDMAPT
SCHEMBL32680056 0.82 MPO (0.92) MPOALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL10288922 0.82 MPO (0.92) MPOALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1838349 0.81 RAB9A (0.70) RAB9ALMNAALDH1A1HPGDMAPT
SCHEMBL7258664 0.81 RAB9A (0.58) RAB9AMPOLMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed