SCHEMBL3036358

SCHEMBL3036358

Cc1cc(C(N)(N)c2cc(C)c(N)c(C)c2)cc(C)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
ALDH1A1 P00352 8/20 0.58
CYP3A4 P08684 5/20 0.58
TSHR P16473 5/20 0.58
TDP1 Q9NUW8 4/20 0.58
TP53 P04637 3/20 0.58
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CD44 P16070 2/20 0.32
CASP1 P29466 1/20 0.32
HTR1D P28221 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL2891481 0.79 POLB (0.67) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL2231480 0.79 POLB (0.94) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL532346 0.77 POLB (0.56) POLBALDH1A1CYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL19857169 0.75 POLB (0.61) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL18156889 0.75 POLB (0.61) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL9669 0.73 ALDH1A1 (1.00) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL139002 0.73 ALDH1A1 (0.65) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL33589 0.73 ALDH1A1 (0.65) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL1866504 0.73 ALDH1A1 (1.00) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL13523941 0.73 ESR1 (0.60) POLBALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8337598-B2 Photo-crosslinked gas selective membranes as part of thin film composite hollow fiber membranes HONEYWELL INTERNATIONAL INC. (US) 2012-12-25 US disclosed
US-20100058926-A1 PHOTO-CROSSLINKED GAS SELECTIVE MEMBRANES AS PART OF THIN FILM COMPOSITE HOLLOW FIBER MEMBRANES HONEYWELL INTERNATIONAL INC. 2010-03-11 US disclosed