SCHEMBL11671827

SCHEMBL11671827

CCCN(CCOC(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ FAAH O00519 6/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11672894 0.93 TDP1 (0.47) L3MBTL1TDP1NPSR1ATMMEN1
SCHEMBL11670534 0.92 CNR2 (0.45) CNR2L3MBTL1TDP1NPSR1ATM
SCHEMBL11148002 0.90 ATM (0.42) L3MBTL1TDP1ATMMEN1ALDH1A1
SCHEMBL11672259 0.89 TDP1 (0.41) L3MBTL1TDP1ATMMEN1ALDH1A1
SCHEMBL11698503 0.89 TDP1 (0.41) L3MBTL1TDP1NPSR1ATMMEN1
Hydrochloric Acid SCHEMBL11671229 0.89 SCN5A (0.44) L3MBTL1TDP1NPSR1ATMMEN1
SCHEMBL11671816 0.88 TSHR (0.43) CNR2L3MBTL1TDP1MEN1ALDH1A1
SCHEMBL11671095 0.86 CNR2 (0.45) CNR2L3MBTL1TDP1NPSR1MEN1
SCHEMBL11671493 0.86 TDP1 (0.41) L3MBTL1TDP1ATMMEN1ALDH1A1
SCHEMBL11670270 0.86 EGFR (0.48) L3MBTL1TDP1NPSR1ATMMEN1

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-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
Send feedback