SCHEMBL8874253

SCHEMBL8874253

Fc1ccc(-c2nc3ccccn3c2Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.76
NPC1 O15118 6/20 0.76
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 7/20 0.56
HPGD P15428 2/20 0.56
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
FLT3 P36888 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 3/20 0.48
NR1I3 Q14994 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47

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
SCHEMBL8874289 0.87 RAB9A (0.81) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL31122988 0.86 NPC1 (1.00) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL8873776 0.84 RAB9A (0.76) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15825411 0.81 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL1050868 0.81 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL22615058 0.81 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL22627410 0.81 NPC1 (0.72) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL8874767 0.80 RAB9A (1.00) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL22342526 0.79 ALDH1A1 (0.61) RAB9ANPC1ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL1430012 0.79 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658857-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed
CN-1117732-A Imidazoazines BAYER AG (DE) 1996-02-28 CN disclosed
EP-0683779-A1 IMIDAZOAZINES BAYER AG (DE) 1995-11-29 EP disclosed
WO-1994018198-A1 IMIDAZOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1994-08-18 WO disclosed