SCHEMBL6186573

SCHEMBL6186573

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2NCC(F)(F)F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 4/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
TSHR P16473 5/20 0.38
CYP1A2 P05177 4/20 0.38
HTT P42858 4/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
GALR3 O60755 2/20 0.38
CYP2D6 P10635 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 3/20 0.37
CRHR1 P34998 3/20 0.36
LMNA P02545 3/20 0.36
CYP3A4 P08684 2/20 0.36
RAB9A P51151 1/20 0.36
GRM8 O00222 1/20 0.35
GRM7 Q14831 1/20 0.35
HPGD P15428 4/20 0.35
POLB P06746 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
SCHEMBL3220251 0.89 MBOAT4 (0.34) MBOAT4SMN1; SMN2TSHRCYP1A2HTT
SCHEMBL976979 0.88 MBOAT4 (0.35) MBOAT4SMN1; SMN2TSHRALDH1A1MAPK1
SCHEMBL4483618 0.86 ALDH1A1 (0.35) MBOAT4SMN1; SMN2TSHRCYP1A2HTT
SCHEMBL31020443 0.86 MBOAT4 (0.34) MBOAT4SMN1; SMN2TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4501402 0.86 ALDH1A1 (0.35) MBOAT4SMN1; SMN2TSHRCYP1A2HTT
SCHEMBL4492166 0.86 EGLN2 (0.35) MBOAT4SMN1; SMN2TSHRALDH1A1POLB
Hydrochloric Acid SCHEMBL4488768 0.85 EGLN2 (0.35) MBOAT4SMN1; SMN2TSHRALDH1A1POLB
Hydrochloric Acid SCHEMBL4501398 0.85 MBOAT4 (0.34) MBOAT4SMN1; SMN2TSHRCYP1A2HTT
SCHEMBL4832135 0.84 ALDH1A1 (0.45) MBOAT4SMN1; SMN2TSHRCYP1A2HTT
Hydrochloric Acid SCHEMBL4488767 0.84 EGLN2 (0.34) MBOAT4SMN1; SMN2TSHRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066291-B8 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES BASF AG (DE) 2005-09-14 EP claimed
EP-1574513-A1 Fungicidal 6-(2-halo-4-alkoxyphenyl)-triazolopyrimidines Wyeth (US) 2005-09-14 EP claimed
EP-1066291-A1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2001-01-10 EP claimed
US-5981534-A USE IN AGRICULTURE OR RELATED FIELDS FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI SUCH AS ALTEMARIA SOLANI, BOTRYTIS CINEREA AMERICAN CYANAMID COMPANY (US) 1999-11-09 US claimed
WO-1999048893-A1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-09-30 WO claimed
EP-1574513-A1 Fungicidal 6-(2-halo-4-alkoxyphenyl)-triazolopyrimidines Wyeth (US) 2005-09-14 EP disclosed
EP-1066291-B1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES BASF AG (DE) 2005-07-13 EP disclosed
US-6284762-B1 AGRICULTURE AMERICAN CYANAMID COMPANY 2001-09-04 US disclosed
US-5981534-A USE IN AGRICULTURE OR RELATED FIELDS FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI SUCH AS ALTEMARIA SOLANI, BOTRYTIS CINEREA AMERICAN CYANAMID COMPANY (US) 1999-11-09 US disclosed