SCHEMBL3898976

SCHEMBL3898976

NC1CN(c2ccc3ccc(C(=O)O)nc3c2)CC/C1=N/O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 11/20 0.36
MGAM O43451 1/20 0.36
TSHR P16473 1/20 0.33
TERT O14746 2/20 0.33
CYP3A4 P08684 3/20 0.31
CYP2C8 P10632 3/20 0.31
NR1H4 Q96RI1 3/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL3898981 1.00 PIM2 (0.36) PIM2MGAMTSHRTERTCYP3A4
SCHEMBL17420285 0.74 TERT (0.60) PIM2MGAMTSHRTERTNPC1
SCHEMBL17420335 0.74 TERT (0.56) PIM2MGAMTSHRTERTNPC1
SCHEMBL7184766 0.74 BPTF (0.47) PIM2MGAMMAPTTDP1NOTUM
SCHEMBL3628697 0.72 PIM2 (0.36) PIM2MGAMTSHRTERTCYP3A4
SCHEMBL17420256 0.71 PIM2 (0.53) PIM2MGAMTERTNOTUM
SCHEMBL17420317 0.71 HRH3 (0.43) PIM2MGAMTSHRTERT
SCHEMBL17420313 0.71 SLC16A3 (0.52) MGAMTSHRNPC1POLBMAPT
SCHEMBL17420314 0.71 KDM4E (0.52) PIM2MGAMTSHRTERTNPC1
SCHEMBL9837631 0.71 HTR3E (0.49) MGAMTSHRTERTCYP3A4

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-2009030106-A1 7-(4-OXIMINO-3-AMINO-1-PIPERIDYL)QUINOLINECARBOXYLIC ACID DERIVATIVES AND THEIR PREPARATION METHODS INSTITUTE OF MEDICINAL BIOTECHNOLOGY CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2009-03-12 WO disclosed
WO-2009030106-A1 7-(4-OXIMINO-3-AMINO-1-PIPERIDYL)QUINOLINECARBOXYLIC ACID DERIVATIVES AND THEIR PREPARATION METHODS INSTITUTE OF MEDICINAL BIOTECHNOLOGY CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2009-03-12 WO disclosed