SCHEMBL10355646

SCHEMBL10355646

CCCCCC[C@H]1CC[C@H](c2ccc(OC(=O)CCCC)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
CA2 P00918 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL10355648 1.00 KMT2A (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347580 0.82 KMT2A (0.39) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10355464 0.82 MAPT (0.40) KMT2ASMN1; SMN2MEN1MAPK1HPGD
SCHEMBL10355463 0.82 MAPT (0.40) KMT2ASMN1; SMN2MEN1MAPK1HPGD
SCHEMBL10875327 0.82 NR5A1 (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL7796911 0.81 CYP2C9 (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL7796912 0.81 CYP2C9 (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347161 0.81 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10347164 0.81 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL10355659 0.81 HSD17B3 (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1

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
EP-0194153-B1 PYRIDINE DERIVATIVES Chisso Corporation (JP) 1990-10-31 EP disclosed
US-4684477-A LOW VISCOSITY, LOW VOLTAGE CHISSO CORPORATION (JP) 1987-08-04 US disclosed
EP-0194153-A2 Pyridine derivatives Chisso Corporation (JP) 1986-09-10 EP disclosed