SCHEMBL6660433

SCHEMBL6660433

N=P(N)(Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
MAPT P10636 4/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 1/20 0.42
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA1 P00915 1/20 0.38
LMNA P02545 1/20 0.37
ALOX12 P18054 2/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36

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
SCHEMBL6683450 0.72 IDO1 (0.50) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL28365055 0.72 MEN1 (0.55) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL6660438 0.72 IDO1 (0.42) IDO1TDP1HPGD
SCHEMBL6683645 0.72 HPGD (0.46) IDO1HPGD
Water SCHEMBL7529143 0.71 LOXL2 (0.46) IDO1MAPTCYP3A4ALDH1A1HPGD
SCHEMBL10308510 0.69 MEN1 (0.52) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL6686553 0.68 MEN1 (0.46) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL6687981 0.68 MEN1 (0.55) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL31232950 0.68 MEN1 (0.50) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL3060339 0.68 KMT2A (0.55) IDO1MAPTCYP3A4MEN1KMT2A

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
WO-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed