SCHEMBL8852883

SCHEMBL8852883

C(CN1CCOCC1)Nc1nc(NCCN2CCOCC2)nc(C2CC3CC2CC3c2nc(NCCN3CCOCC3)nc(NCCN3CCOCC3)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.48
BACE1 P56817 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PIK3CA P42336 5/20 0.42
MTOR P42345 5/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41

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
SCHEMBL8853156 0.91 MEN1 (0.45) MEN1KMT2ALMNATSHRBACE1
SCHEMBL8466273 0.90 MEN1 (0.44) MEN1KMT2ALMNATSHRBACE1
SCHEMBL8853168 0.81 MEN1 (0.57) MEN1KMT2ALMNATSHRBACE1
SCHEMBL8853402 0.78 MEN1 (0.46) MEN1KMT2ALMNATSHRBACE1
SCHEMBL8467788 0.78 MEN1 (0.53) MEN1KMT2ALMNATSHRBACE1
SCHEMBL8853155 0.75 CA1 (0.42) CYP3A4CYP2D6
SCHEMBL8465810 0.73 MEN1 (0.57) MEN1KMT2ALMNATSHRBACE1
SCHEMBL1309432 0.73 LMNA (0.71) MEN1KMT2ALMNATSHRBACE1
SCHEMBL8852976 0.72 RECQL (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8468597 0.72 MEN1 (0.47) MEN1KMT2ALMNATSHRBACE1

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-5648446-A ADHESIVES, FIREPROOFING, HEAT RESISTANCE IN RESINS FOR MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
US-5646240-A THERMOSETTING MOLDING COMPOSITIONS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-08 US disclosed
US-5596039-A FLAME RETARDERS, HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-21 US disclosed
US-5569726-A USEFUL IN FLAME-RETARDING, THERMAL STABILIZATION AND COMPATIBILIZATION OF RESINS AND IN THERMOSETTING MOLDING COMPOSITIONS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-10-29 US disclosed
US-5545702-A THERMOSETTING RESIN COMPOSITION MITSUI TOATSU CHEMICALS, INC. (JP) 1996-08-13 US disclosed
US-5536795-A ADHESIVES AND PAINTS AND FIREPROOFING THERMOSETTING RESINS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
US-5480947-A N-METHYLOL DIGUANAMINES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-02 US disclosed
EP-0612797-A2 Modification method of resins MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-08-31 EP disclosed