SCHEMBL8946307

SCHEMBL8946307

O=C(Nc1cnc(-c2ccccc2)nc1-c1ccccc1Cl)Nc1c(Br)cccc1Br

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
NTRK1 P04629 7/20 0.44
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 1/20 0.41
NTRK3 Q16288 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NTRK2 Q16620 1/20 0.39
PYGL P06737 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8946920 0.87 L3MBTL1 (0.50) L3MBTL1NTRK1LMNACYP1A2CYP2C9
SCHEMBL8946617 0.87 L3MBTL1 (0.53) L3MBTL1NTRK1NTRK3NTRK2PYGL
SCHEMBL8946654 0.85 L3MBTL1 (0.55) L3MBTL1NTRK1LMNACYP1A2CYP2C9
SCHEMBL8946576 0.85 L3MBTL1 (0.51) L3MBTL1NTRK1LMNACYP1A2CYP2C9
SCHEMBL8946618 0.85 L3MBTL1 (0.51) L3MBTL1NTRK1LMNACYP1A2CYP2C9
SCHEMBL8946750 0.83 L3MBTL1 (0.48) L3MBTL1NTRK1LMNACYP1A2CYP2C9
SCHEMBL8946728 0.83 L3MBTL1 (0.51) L3MBTL1NTRK1CYP2C9NTRK3MEN1
SCHEMBL8946420 0.82 L3MBTL1 (0.47) L3MBTL1NTRK1NTRK3NTRK2PYGL
SCHEMBL8946589 0.81 L3MBTL1 (0.49) L3MBTL1NTRK1NTRK3MEN1KMT2A
SCHEMBL8946504 0.81 L3MBTL1 (0.47) L3MBTL1NTRK1NTRK3NTRK2PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed