SCHEMBL8940400

SCHEMBL8940400

O=C(ONC1CCCCC1)c1ccccc1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ATM Q13315 1/20 0.54
LMNA P02545 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
ALDH1A1 P00352 4/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
EPHX2 P34913 2/20 0.45
EPHX1 P07099 1/20 0.45
TSHR P16473 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL601901 0.98 KMT2A (0.55) KMT2AMEN1ATMLMNACYP1A2
Hydrochloric Acid SCHEMBL10905001 0.97 KMT2A (0.54) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL27581290 0.90 KMT2A (0.58) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL27612293 0.90 NPC1 (0.50) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL28373729 0.87 EPHX2 (0.50) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL29109451 0.82 KMT2A (0.50) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL25648837 0.81 KMT2A (0.46) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL26005006 0.80 KMT2A (0.49) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL26005009 0.80 KMT2A (0.49) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL4234112 0.79 MEN1 (0.64) KMT2AMEN1ATMLMNACYP1A2

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-0707666-A4 CORROSION INHIBITOR AND SEALABLE THREAD PROTECTOR END CAP CENTRAX INT CORP (US) 1996-10-09 EP disclosed
EP-0707666-A1 CORROSION INHIBITOR AND SEALABLE THREAD PROTECTOR END CAP CENTRAX INTERNATIONAL CORPORATION (US) 1996-04-24 EP disclosed
WO-1995000679-A1 CORROSION INHIBITOR AND SEALABLE THREAD PROTECTOR END CAP CENTRAX INTERNATIONAL CORPORATION (US) 1995-01-05 WO disclosed