SCHEMBL6905404

SCHEMBL6905404

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
P2RX7 Q99572 2/20 0.36
MAPT P10636 3/20 0.36
HKDC1 Q2TB90 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CNR1 P21554 1/20 0.34

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
SCHEMBL6907976 0.88 TAAR1 (0.41) TAAR1NPC1RAB9AALDH1A1MAPK1
SCHEMBL7081843 0.88 TAAR1 (0.41) TAAR1NPC1RAB9AALDH1A1MAPK1
SCHEMBL6029625 0.88 KMT2A (0.43) NPC1ALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL6901764 0.81 P2RX7 (0.40) TAAR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6888143 0.79 POLB (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL3430687 0.78 LMNA (0.42) NPC1RAB9AKMT2ALMNAP2RX7
SCHEMBL6030456 0.76 MEN1 (0.39) TAAR1NPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL6481161 0.76 MEN1 (0.39) TAAR1NPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL6030344 0.74 CYP1A2 (0.48) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL6031333 0.72 S1PR1 (0.40) NPC1ALDH1A1MAPK1SMN1; SMN2KMT2A

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