SCHEMBL6974290

SCHEMBL6974290

COc1cc(N)cc(SC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ CYP19A1 P11511 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39

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
SCHEMBL191996 0.80 ACHE (0.59) MAPTCYP19A1KDM4ENQO2ACHE
SCHEMBL14189344 0.79 ACHE (0.67) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL20323296 0.78 CNKSR1 (0.40) POLBL3MBTL1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4381078 0.78 ACHE (0.56) MAPTCYP19A1KDM4ENQO2ACHE
Ammonia Solution, Strong SCHEMBL4946565 0.78 ACHE (0.56) MAPTCYP19A1KDM4ENQO2ACHE
SCHEMBL21264353 0.74 MAPT (0.47) POLBMAPTCYP19A1KDM4ENQO2
SCHEMBL2529901 0.74 ACHE (0.46) POLBL3MBTL1MAPTCYP19A1KDM4E
SCHEMBL6850895 0.74 MAPT (0.42) POLBL3MBTL1MAPTCYP19A1KDM4E
SCHEMBL11356993 0.73 MAPT (0.52) POLBL3MBTL1MAPTCYP19A1KDM4E
SCHEMBL20970922 0.73 HTR2A (0.71) MAPTCYP19A1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 — — EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 — — US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 — — US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 — — EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 — — WO disclosed
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