SCHEMBL22009404

SCHEMBL22009404

N#Cc1ccc2c(c1)CCN2C(=O)C1(S/C(=N/N)N(N)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.37
▸ AKR1C3 P42330 2/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ F11 P03951 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ USP30 Q70CQ3 4/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ TNF P01375 2/20 0.34
▸ NOD1 Q9Y239 2/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL22009336 0.89 POLB (0.34) HDAC1HDAC8HDAC6USP30
SCHEMBL22009339 0.83 TP53 (0.44) KDM1AAKR1C3AKR1C1F11TP53
SCHEMBL22009701 0.79 TAS2R14 (0.36) KDM1ARXRA
SCHEMBL22016322 0.73 MAOA (0.40) TP53
SCHEMBL22010399 0.73 NPC1 (0.38) TP53
SCHEMBL21952036 0.71 TSHR (0.42) AKR1C3F11TNFNOD1NOD2
SCHEMBL22010396 0.71 NPC1 (0.36) TP53HDAC1HDAC8HDAC6
SCHEMBL22016313 0.70 SLC22A12 (0.40) TP53
SCHEMBL22010402 0.69 PARP15 (0.36) RXRA
SCHEMBL22009338 0.67 BRAF (0.42) HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3909577-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER Fundación Profesor Novoa Santos (ES) 2021-11-17 — — EP disclosed
WO-2020099652-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUNDACIÓN PROFESOR NOVOA SANTOS (ES) 2020-05-22 — — WO disclosed
EP-3653208-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS Fundación Profesor Novoa Santos (ES) 2020-05-20 — — EP disclosed
Send feedback