SCHEMBL9039809

SCHEMBL9039809

CC(C)(C)C(=O)Nc1ccncc1CNCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.47
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.44
KDM6B O15054 2/20 0.44
KDM4D Q6B0I6 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM4A O75164 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.40
CETP P11597 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL9041765 0.99 BRS3 (0.47) BRS3TSHRKDM4EKDM6BKDM4D
SCHEMBL9042912 0.80 KDM6B (0.43) TSHRKDM4EKDM6BKDM4CLMNA
Hydrochloric Acid SCHEMBL9041358 0.79 KDM6B (0.42) TSHRKDM4EKDM6BKDM4CLMNA
SCHEMBL9659435 0.78 ALDH1A1 (0.45) TSHRKDM4ELMNASMN1; SMN2HTT
SCHEMBL9041278 0.77 POLB (0.45) BRS3TSHRKDM4EKDM6BKDM4D
SCHEMBL3961957 0.77 ACHE (0.52) POLBBCHEACHE
Hydrochloric Acid SCHEMBL9650175 0.76 POLB (0.43) BRS3TSHRKDM4EKDM6BKDM4D
Hydrochloric Acid SCHEMBL9700870 0.76 POLB (0.44) BRS3TSHRKDM4EKDM6BKDM4D
SCHEMBL31576010 0.74 TSHR (0.42) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL20715526 0.71 HSD17B10 (0.54) KDM4EKDM6BKDM4DKDM4CKDM4A

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-0480155-B1 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST ROUSSEL PHARMA (US) 1996-01-31 EP disclosed
EP-0480155-A2 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-04-15 EP disclosed
US-5095019-A 4-substituted dihydropyrido(4,3-D)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-03-10 US disclosed
US-5059602-A 4-substituted dihydropyrido(4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
EP-0435222-A2 Aminopyridinylmethanols and aminomethylpyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-07-03 EP disclosed