SCHEMBL19648533

SCHEMBL19648533

CCOC(=O)Cc1csc(NNc2ccc(Nc3ccc(NNc4ccc(N5CCCC5)s4)cc3C)cc2C)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL19648567 0.97 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL19648699 0.84 SMN1; SMN2 (0.44) MAPTSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL19648691 0.83 SMN1; SMN2 (0.42) MAPTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL19648585 0.82 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL19648530 0.80 LMNA (0.35) MAPTSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL19648544 0.79 LMNA (0.34) MAPTSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL19648563 0.78 NPC1 (0.31) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19648572 0.78 NPC1 (0.30) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19648698 0.77
SCHEMBL19648715 0.76 MAPT (0.32) MAPT

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