SCHEMBL11647726

SCHEMBL11647726

COc1cc(C(C)c2ccncc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.54
▸ BLM P54132 2/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ TSHR P16473 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ SLC22A3 O75751 1/20 0.49
▸ FOS P01100 1/20 0.49
▸ TTR P02766 1/20 0.49
▸ JUN P05412 1/20 0.49
▸ NR3C1 P04150 1/20 0.49
▸ HSD17B1 P14061 1/20 0.49
▸ HSD17B2 P37059 1/20 0.49
▸ PDE4D Q08499 1/20 0.47
▸ MAOB P27338 1/20 0.46
▸ BCHE P06276 2/20 0.46
▸ TYR P14679 2/20 0.46
▸ ACHE P22303 2/20 0.46
▸ ALOX15 P16050 1/20 0.45

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
SCHEMBL21852873 0.88 TSHR (0.62) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL28767692 0.83 TSHR (0.57) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL29625307 0.77 TSHR (0.62) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL2411502 0.77 TSHR (0.62) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL1301569 0.75 TSHR (0.66) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL22208556 0.75 TSHR (0.61) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL15553306 0.75 TSHR (0.66) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL29466173 0.75 TSHR (0.66) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL20563424 0.75 TSHR (0.65) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL1595549 0.75 TSHR (0.65) NFKB1BLMPMP22TSHRCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4124386-A Color diffusion transfer receiving layer comprising polymeric quaternary n-heterocyclic mordant FUJI PHOTO FILM CO., LTD. (JP) 1978-11-07 — — US claimed
US-4124386-A Color diffusion transfer receiving layer comprising polymeric quaternary n-heterocyclic mordant FUJI PHOTO FILM CO., LTD. (JP) 1978-11-07 — — US disclosed
US-4021428-A 4-Piperidino-5-oxo-2-pyrazolines FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 — — US disclosed
US-3956339-A 4-Pyridinio-5-pyrazolone salts, process for their preparation and their use FUJI PHOTO FILM CO., LTD. (JA) 1976-05-11 — — US disclosed
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