SCHEMBL8723450

SCHEMBL8723450

O=P(NCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 3/20 0.53
KCNA5 P22460 4/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 3/20 0.46
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA1 P00915 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
KCNN4 O15554 3/20 0.44
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH7 P40394 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL14304765 0.79 LMNA (0.45) MEN1KMT2AHTTKCNA5MAPT
SCHEMBL8721549 0.79 MEN1 (0.50) MEN1KMT2AHTTMAPTLMNA
SCHEMBL15256260 0.76 MEN1 (0.47) MEN1KMT2AHTTMAPTLMNA
SCHEMBL6687981 0.76 MEN1 (0.55) MEN1KMT2AHTTMAPTLMNA
SCHEMBL28365055 0.76 MEN1 (0.55) MEN1KMT2AHTTMAPTLMNA
SCHEMBL27522015 0.76 MEN1 (0.55) MEN1KMT2AHTTMAPTLMNA
SCHEMBL1377592 0.76 KMT2A (0.55) MEN1KMT2AHTTMAPTLMNA
SCHEMBL27880788 0.76 KMT2A (0.55) MEN1KMT2AHTTMAPTLMNA
SCHEMBL27587586 0.75 HPGD (0.51) MEN1KMT2AHTTKCNA5MAPT
SCHEMBL14303134 0.74 ALDH1A1 (0.48) MEN1KMT2AHTTKCNA5MAPT

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
US-5830915-A ORAL DISEASES; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1998-11-03 US claimed
WO-2008003809-A1 ANTITUMOUR COMPOUNDS PHARMA MAR, S.A. (ES) 2008-01-10 WO disclosed
US-5830915-A ORAL DISEASES; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1998-11-03 US disclosed