SCHEMBL16378121

SCHEMBL16378121

Cc1cccc(N2CCC[C@@H]2C)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
GFER P55789 2/20 0.51
HRH3 Q9Y5N1 2/20 0.50
TSHR P16473 2/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDK2 Q15119 1/20 0.45
ADRB1 P08588 1/20 0.45
TP53 P04637 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL13060129 1.00 KMT2A (0.54) KMT2AGFERHRH3TSHRMAPT
SCHEMBL8053460 0.95 GFER (0.53) KMT2AGFERHRH3TSHRMAPT
SCHEMBL24522282 0.81 PDK2 (0.44) KMT2AGFERHRH3LMNASMN1; SMN2
SCHEMBL27865371 0.81 OPRM1 (0.49) PDK2
SCHEMBL12802636 0.81 ADRA2C (0.49) KMT2AGFERMAPTPDK2
SCHEMBL12802638 0.81 ADRA2C (0.49) KMT2AGFERMAPTPDK2
SCHEMBL25732648 0.81 KMT2A (0.52) KMT2AGFERTSHRMAPTNPSR1
SCHEMBL15160573 0.80 HRH3 (0.55) KMT2AGFERHRH3TSHRMAPT
SCHEMBL3535701 0.80 MAOA (0.54) KMT2ATSHRMAPTLMNASMN1; SMN2
SCHEMBL8284787 0.80 MAOA (0.54) KMT2ATSHRMAPTLMNASMN1; SMN2

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
US-8921383-B2 Thiazolopyrimidine compounds HOFFMANN-LA ROCHE INC. (US) 2014-12-30 US disclosed