SCHEMBL9427971

SCHEMBL9427971

Cc1ccc(OCn2cncn2)c(Oc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
TSHR P16473 1/20 0.51
PKM P14618 1/20 0.44
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL9427964 0.77 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRMAPTLMNA
SCHEMBL6003706 0.76 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRMAPTLMNA
SCHEMBL10694228 0.73 L3MBTL1 (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL13799708 0.72 TTR (0.47) ALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL16118592 0.70 MAPT (0.53) ALDH1A1KDM4EMAPTRAB9A
SCHEMBL24065504 0.68 KDM4E (0.47) ALDH1A1KDM4ETSHRMAPTLMNA
SCHEMBL30965508 0.68 KDM4E (0.47) ALDH1A1KDM4ETSHRMAPTLMNA
SCHEMBL9472492 0.68 ACHE (0.63) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7011578 0.68 MAPT (0.50) MAPTSMN1; SMN2HTT
SCHEMBL10878380 0.67 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280036-A Containing 4h-1,24-triazole ring BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
US-5214064-A Insecticides, nematocides, miticides BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
EP-0289919-B1 N-SUBSTITUTED AZOLES BASF Aktiengesellschaft (DE) 1993-03-17 EP disclosed
US-5187182-A Insecticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
US-5185359-A N-phenoxphenyloxymethyl substituted azoles and method for controlling pests therewith BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
US-5116860-A N-SUBSTITUTED AZOLES FOR COMBATING INSECTS, ARACHNIDS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
US-4943585-A N-substituted azoles and insecticide, arachnicide, and nematocide compositions thereof BASF AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed
EP-0289919-A2 N-Substituted azoles BASF Aktiengesellschaft (DE) 1988-11-09 EP disclosed