SCHEMBL11672284

SCHEMBL11672284

CCC(CN(CC)c1ccccc1)OC(=O)Oc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 7/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ LPAR5 Q9H1C0 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CXCL8 P10145 1/20 0.34
▸ TSHR P16473 2/20 0.34

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
SCHEMBL11670466 0.89 TSHR (0.45) MEN1KMT2AHPGDALDH1A1NPSR1
SCHEMBL11670664 0.89 ALDH1A1 (0.40) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL11670644 0.88 FABP7 (0.39) TP53MEN1KMT2AALDH1A1MAPT
SCHEMBL11670591 0.87 TDP1 (0.37) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL11671552 0.87 MEN1 (0.35) MEN1KMT2AHPGDALDH1A1NPC1
SCHEMBL11670723 0.85 ALDH1A1 (0.42) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL11670740 0.85 SCN1A (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL11671394 0.85 KMT2A (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11670540 0.84 TDP1 (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL11671783 0.83 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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