SCHEMBL11434471

SCHEMBL11434471

COc1ccc(Cl)c(N(C(=O)CC(C)=O)C(=O)CC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ ACACB O00763 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ ERCC5 P28715 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ P2RX7 Q99572 4/20 0.38
▸ P2RY12 Q9H244 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL11211110 0.84 HSD17B10 (0.45) LMNAMAPTTP53CYP1A2KMT2A
SCHEMBL11208904 0.84 CYP2C9 (0.40) KDM4ELMNAMAPTCYP3A4NPC1
SCHEMBL7599236 0.81 HTT (0.44) TDP1ERCC5FEN1KDM4EMAPT
SCHEMBL11427097 0.80 HCRTR1 (0.38) ACACBKDM4ELMNANPC1CYP1A2
SCHEMBL2975268 0.75 PAX8 (0.44) MAPTTP53KMT2AALDH1A1HPGD
SCHEMBL11705566 0.73 ALDH1A1 (0.56) LMNAMAPTCYP1A2SMN1; SMN2KMT2A
SCHEMBL11206968 0.73 MTNR1B (0.56) —
SCHEMBL10947114 0.71 GAA (0.40) KDM4ELMNACYP3A4NPC1CYP1A2
SCHEMBL11596353 0.71 KDM4E (0.50) TDP1KDM4ELMNAMAPTCYP3A4
SCHEMBL11222060 0.70 HSD17B1 (0.46) MAPTCYP3A4NPC1CYP1A2RAB9A

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-4221709-A Azo pigments DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1980-09-09 — — US disclosed
US-4070353-A FOR PLASTICS AND PRINTING INKS, YELLOW TO ORANGE SHADES CIBA-GEIGY CORPORATION (US) 1978-01-24 — — US disclosed
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