SCHEMBL19648592

SCHEMBL19648592

CCCCCOC(=O)c1ccc(NNc2ccc(NNc3ccc(NNc4ccc(NC(C)CC)c5ccccc45)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 5/20 0.45
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARA Q07869 1/20 0.45
GPR35 Q9HC97 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 4/20 0.42
CYP1A2 P05177 2/20 0.42
SCN5A Q14524 2/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL19648689 0.82 LMNA (0.40) HPGDRECQLALDH1A1TSHRMAPT
SCHEMBL14866647 0.82 ALDH1A1 (0.41) HPGDRECQLALDH1A1TSHRMAPT
SCHEMBL14866643 0.81 ALDH1A1 (0.43) ALDH1A1TSHRMAPTRAB9ANPC1
SCHEMBL19648948 0.78 CA12 (0.34) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL14866748 0.74 LMNA (0.43) HPGDALDH1A1TSHRMAPTNPSR1
SCHEMBL5710100 0.71 ALDH1A1 (0.62) HPGDRECQLALDH1A1TSHRMAPT
SCHEMBL1994995 0.71 ALDH1A1 (0.80) HPGDRECQLALDH1A1TSHRMAPT
Benzene SCHEMBL28221398 0.69 TDP1 (0.81) ALDH1A1TSHRMAPTRAB9ANPC1
SCHEMBL132946 0.69 TDP1 (0.81) ALDH1A1TSHRMAPTRAB9ANPC1
SCHEMBL108532 0.69 ALDH1A1 (0.83) ALDH1A1TSHRMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580289-B1 BLACK DICHROIC DYE BASF SE (DE) 2017-11-29 EP disclosed