SCHEMBL10543732

SCHEMBL10543732

CCOC(=O)c1cnc2c([N+](=O)[O-])c(Cl)c(F)cc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GUSB P08236 1/20 0.40
COMT P21964 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38

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
SCHEMBL27329125 0.84 KMT2A (0.47) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL10543980 0.82 KMT2A (0.46) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL926032 0.80 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL10541412 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGUSBCOMT
SCHEMBL538577 0.79 KMT2A (0.46) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL31255110 0.78 MAPT (0.47) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL26632758 0.78 MAPT (0.47) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL10565234 0.78 KMT2A (0.46) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL6732648 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL6201155 0.76 THRB (0.45) ALDH1A1MEN1KMT2AMAPTNPSR1

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-4870182-A 4-Hydroxy-quinoline-3-carboxylic BAYER AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
US-4804760-A Process for the preparation of 4-hydroxy-quinoline-3-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed