SCHEMBL6907976

SCHEMBL6907976

Cc1cc(Cl)c(C(=O)NCCc2ncc(I)cc2Cl)c(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 3/20 0.35
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.33
LMNA P02545 1/20 0.33
HKDC1 Q2TB90 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL6481161 0.88 MEN1 (0.39) TAAR1ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL6905404 0.88 TAAR1 (0.43) TAAR1ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL7081843 0.86 TAAR1 (0.41) TAAR1ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL6029625 0.76 KMT2A (0.43) ALDH1A1SMN1; SMN2MAPK1POLBNPC1
SCHEMBL6030456 0.74 MEN1 (0.39) TAAR1ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL6480485 0.74 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2MAPK1POLBRAB9A
SCHEMBL6030344 0.72 CYP1A2 (0.48) ALDH1A1SMN1; SMN2MAPK1MAPTMEN1
SCHEMBL6480960 0.71 POLB (0.40) ALDH1A1SMN1; SMN2MAPK1POLBNPC1
SCHEMBL6901764 0.70 P2RX7 (0.40) TAAR1SMN1; SMN2POLBRAB9ANPC1
SCHEMBL26608490 0.70 POLB (0.54) ALDH1A1SMN1; SMN2MAPK1POLBMAPT

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
EP-1485355-A2 PYRIDINYL AMIDES AND COMPOSITIONS THEREOF FOR USE AS FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-12-15 EP disclosed
WO-2003080576-A2 PYRIDINYL AMIDES AND COMPOSITIONS THEREOF FOR USE AS FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-10-02 WO disclosed