SCHEMBL7568078

SCHEMBL7568078

CN1CCN=C1c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
CCKBR P32239 1/20 0.41
GABRA3 P34903 1/20 0.41
OPRK1 P41145 1/20 0.41
MC3R P41968 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GHSR Q92847 1/20 0.41
HIF1A Q16665 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.38
APOBEC3A P31941 1/20 0.38
RAB9A P51151 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
Hydrochloric Acid SCHEMBL6769742 0.99 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAGABRA1GABRG2
SCHEMBL7499586 0.77 SIRT6 (0.45) ALDH1A1KMT2ALMNAMAPTNPC1
Hydrochloric Acid SCHEMBL6765057 0.76 SIRT6 (0.44) ALDH1A1KMT2ALMNAMAPTNPC1
SCHEMBL2625723 0.71 CCNT1 (0.51) ALDH1A1KMT2ALMNAGABRA1GABRG2
SCHEMBL10036370 0.69 SLC6A4 (0.62) ALDH1A1KMT2ALMNA
SCHEMBL30736527 0.69 SLC6A4 (0.62) ALDH1A1KMT2ALMNA
SCHEMBL4005594 0.69 LMNA (0.47) ALDH1A1KMT2ALMNAGABRA1GABRG2
SCHEMBL31463527 0.69 MAPT (0.43) ALDH1A1KMT2ALMNAGABRA1GABRG2
SCHEMBL10822491 0.68 CASP6 (0.52) ALDH1A1KMT2ALMNAGABRA1GABRG2
SCHEMBL9080670 0.68 MAPT (0.43) ALDH1A1KMT2ALMNAGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1390206-A Inhibitors of factor Xa COR THERAPEUTICS INC (US) 2003-01-08 CN disclosed
EP-1216231-A2 INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
WO-2001019798-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2001-03-22 WO disclosed