SCHEMBL19333383

SCHEMBL19333383

CCC(C)N(CCC(F)(F)F)Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LIN28A Q9H9Z2 1/20 0.44
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
CYP1A2 P05177 1/20 0.40
KCNA5 P22460 4/20 0.39
KCNH2 Q12809 1/20 0.39
CXCR4 P61073 3/20 0.38
MLYCD O95822 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNE1 P15382 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL19333396 0.90 TDP1 (0.42) TDP1MAPTSMN1; SMN2LIN28ANR1H2
SCHEMBL19333382 0.87 MAPT (0.47) TDP1MAPTSMN1; SMN2LIN28ANR1H2
SCHEMBL13263966 0.84 TDP1 (0.52) TDP1MAPTSMN1; SMN2LIN28ANR1H2
SCHEMBL17917638 0.78 TDP1 (0.53) TDP1MAPTSMN1; SMN2LIN28ANR1H2
SCHEMBL17914541 0.75 KCNA5 (0.58) TDP1MAPTSMN1; SMN2LIN28ANR1H2
SCHEMBL172599 0.73 TDP1 (0.50) TDP1MAPTSMN1; SMN2LIN28ANR1H2
SCHEMBL10261336 0.72 MAPT (0.57) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL7095634 0.72 TDP1 (0.57) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL12088818 0.71 SMN1; SMN2 (0.52) TDP1MAPTSMN1; SMN2LIN28ANR1H2
SCHEMBL170922 0.71 TSHR (0.52) TDP1MAPTSMN1; SMN2CYP1A2CYP2D6

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-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed