SCHEMBL9396342

SCHEMBL9396342

O=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21.c1ncncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GPR55 Q9Y2T6 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
KCNH2 Q12809 2/20 0.47
CHRM2 P08172 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
TYMS P04818 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL30289963 0.92 MEN1 (0.54) MEN1KMT2AGPR55MAPTSMN1; SMN2
SCHEMBL649568 0.92 MEN1 (0.54) MEN1KMT2AGPR55MAPTSMN1; SMN2
SCHEMBL9422636 0.84 CHRM2 (0.49) MEN1KMT2AGPR55MAPTSMN1; SMN2
SCHEMBL29365596 0.80 MEN1 (0.63) MEN1KMT2AGPR55MAPTSMN1; SMN2
SCHEMBL15691572 0.80 MEN1 (0.63) MEN1KMT2AGPR55MAPTSMN1; SMN2
SCHEMBL900116 0.80 MEN1 (0.63) MEN1KMT2AGPR55MAPTSMN1; SMN2
SCHEMBL45826 0.80 MEN1 (0.63) MEN1KMT2AGPR55MAPTSMN1; SMN2
Formaldehyde SCHEMBL972884 0.79 MEN1 (0.57) MEN1KMT2AGPR55MAPTSMN1; SMN2
Bicarbonate SCHEMBL4853074 0.78 MEN1 (0.55) MEN1KMT2AGPR55MAPTSMN1; SMN2
Phenol SCHEMBL8103114 0.77 MEN1 (0.59) MEN1KMT2AGPR55MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564233-A1 Composition of matter for high temperature phenolphthalein-, phenolphthalide-, fluorene-, xanthane-, and anthrone-S-triazines that are soluble in diesel fuel TEXACO DEVELOPMENT CORPORATION (US) 1993-10-06 EP claimed
JP-6016662-A None JP disclosed
US-5322528-A Reducing agent precursors TEXACO INC. (US) 1994-06-21 US disclosed
JP-H0616662-A S-TRIAZINE RING CONTAINING COMPOUND SOLUBLE IN DIESEL OIL TEXACO DEV CORP 1994-01-25 JP disclosed
EP-0564233-A1 Composition of matter for high temperature phenolphthalein-, phenolphthalide-, fluorene-, xanthane-, and anthrone-S-triazines that are soluble in diesel fuel TEXACO DEVELOPMENT CORPORATION (US) 1993-10-06 EP disclosed