SCHEMBL9507712

SCHEMBL9507712

C[C]C(c1ccc(N(c2ccccc2)c2ccc(OCC3CO3)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.45
TP53 P04637 3/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP1A2 P05177 1/20 0.45
PPARG P37231 1/20 0.45
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 6/20 0.41
GLA P06280 1/20 0.40
GRM2 Q14416 2/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL9505448 0.88 ALDH1A1 (0.55) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL279235 0.87 TDP1 (0.71) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL10411865 0.83 TDP1 (0.65) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL279241 0.81 TDP1 (0.63) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL279152 0.80 TDP1 (0.65) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL4428715 0.77 TDP1 (0.65) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL278981 0.76 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL2623391 0.76 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL3148179 0.76 TDP1 (0.67) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL232507 0.75 TDP1 (0.61) TDP1MEN1KMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295126-B1 ARYLAMINE-CONTAINING POLYHYDROXY ETHER RESINS XEROX CORPORATION (US) 1993-08-04 EP disclosed
US-4956440-A Arylamine containing polyhydroxyether resins XEROX CORPORATION (US) 1990-09-11 US disclosed
US-4818650-A Arylamine containing polyhydroxy ether resins and system utilizing arylamine containing polyhydroxyl ether resins XEROX CORPORATION (US) 1989-04-04 US disclosed