SCHEMBL25159969

SCHEMBL25159969

N#Cc1cc(Br)cc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.51
▸ PLG P00747 1/20 0.51
▸ PLAU P00749 1/20 0.51
▸ KLKB1 P03952 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ TP53 P04637 2/20 0.50
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HSPD1 P10809 1/20 0.48

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
SCHEMBL24118803 0.84 MEN1 (0.62) MEN1KMT2ATP53HDAC2HDAC8
SCHEMBL31219284 0.80 HTT (0.62) F2PLGPLAUKLKB1PRSS1
SCHEMBL25160333 0.80 F2 (0.49) F2PLGPLAUKLKB1PRSS1
SCHEMBL3190254 0.78 MEN1 (0.68) F2PLGPLAUKLKB1PRSS1
SCHEMBL22531833 0.77 TP53 (0.71) F2PLGPLAUKLKB1PRSS1
SCHEMBL19332610 0.76 TUBB4A (0.43) HDAC2HDAC8HDAC6
SCHEMBL30300320 0.76 POLB (0.42) MEN1KMT2A
SCHEMBL5222297 0.76 POLB (0.42) MEN1KMT2A
SCHEMBL2911616 0.75 HDAC2 (0.71) PLAUMEN1KMT2ACASP3SENP8
SCHEMBL3827286 0.74 HDAC1 (0.72) MEN1KMT2ATP53CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023061263-A1 SHP2 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2023-04-20 — — WO disclosed
Send feedback