SCHEMBL17059462

SCHEMBL17059462

Cc1ccnc2ccc(SC(C)C)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
HCRTR1 O43613 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP8 Q96LD8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37

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
SCHEMBL14717415 0.82 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL2594547 0.82 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTCYP1A2LMNA
SCHEMBL16289923 0.81 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EMAPTNPC1HCRTR1
SCHEMBL12702866 0.74 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EMAPTNPC1HCRTR1
SCHEMBL29847401 0.72 HTR1A (0.58) SMN1; SMN2KDM4EMAPTNPC1HCRTR1
SCHEMBL873431 0.72 HTR1A (0.58) SMN1; SMN2KDM4EMAPTNPC1HCRTR1
SCHEMBL14706907 0.72 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALDH1A1CYP1A2LMNA
SCHEMBL8603400 0.72 NR4A2 (0.40) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL24347834 0.71 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EMAPTNPC1HCRTR1
SCHEMBL13562374 0.71 UHRF1 (0.46) SMN1; SMN2KDM4EMAPTTSHRCCR1

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-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP disclosed