SCHEMBL17899331

SCHEMBL17899331

C(=C/c1ccc2ccc3cccnc3c2n1)\c1ccc2ccc3cccnc3c2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 4/20 0.67
▸ CCR5 P51681 3/20 0.67
▸ CCR8 P51685 3/20 0.67
▸ LMNA P02545 3/20 0.67
▸ HSP90AA1 P07900 3/20 0.67
▸ MMP2 P08253 2/20 0.67
▸ TSHR P16473 2/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ HTT P42858 2/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ GMNN O75496 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ MMP9 P14780 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ MMP8 P22894 1/20 0.67
▸ THPO P40225 1/20 0.67

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
SCHEMBL7555207 0.89 KDM4E (0.57) CCR1CCR5CCR8LMNAHSP90AA1
SCHEMBL31300953 0.89 KDM4E (0.57) CCR1CCR5CCR8LMNAHSP90AA1
SCHEMBL12068215 0.89 KDM4E (0.57) CCR1CCR5CCR8LMNAHSP90AA1
SCHEMBL7555211 0.89 KDM4E (0.57) CCR1CCR5CCR8LMNAHSP90AA1
SCHEMBL29694484 0.84 CCR1 (0.69) CCR1CCR5CCR8LMNAHSP90AA1
SCHEMBL10012242 0.84 CCR1 (0.61) CCR1CCR5CCR8LMNAHSP90AA1
SCHEMBL12068212 0.84 CCR1 (0.69) CCR1CCR5CCR8LMNAHSP90AA1
SCHEMBL17127162 0.84 CCR1 (0.61) CCR1CCR5CCR8LMNAHSP90AA1
SCHEMBL15023717 0.84 PDE10A (0.66) CCR1CCR5CCR8LMNAHSP90AA1
SCHEMBL15023715 0.84 PDE10A (0.66) CCR1CCR5CCR8LMNAHSP90AA1

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-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
Send feedback