SCHEMBL9682148

SCHEMBL9682148

CCOC(=O)N1CCN(c2nn(-c3ccc(F)cc3)c3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 2/20 0.50
ADRB2 P07550 1/20 0.50
SMN1; SMN2 Q16637 7/20 0.49
MAPT P10636 7/20 0.49
ALDH1A1 P00352 3/20 0.49
STAT3 P40763 1/20 0.49
STAT1 P42224 1/20 0.49
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 5/20 0.47
HTT P42858 3/20 0.47
CASP1 P29466 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL9681416 0.91 KMT2A (0.58) KMT2AMEN1POLBADRB2SMN1; SMN2
SCHEMBL9682518 0.89 SMN1; SMN2 (0.53) KMT2AMEN1POLBADRB2SMN1; SMN2
SCHEMBL9680606 0.83 TP53 (0.45) POLBSMN1; SMN2MAPTTSHRALOX15
SCHEMBL9683234 0.81 MEN1 (0.52) KMT2AMEN1POLBADRB2SMN1; SMN2
SCHEMBL9763064 0.81 KHK (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
Hydrochloric Acid SCHEMBL9681944 0.80 KHK (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL9681940 0.79 KHK (0.48) KMT2AMEN1SMN1; SMN2NPC1LMNA
SCHEMBL16260557 0.79 MEN1 (0.53) KMT2AMEN1POLBADRB2SMN1; SMN2
Fumaric Acid SCHEMBL9681236 0.77 LMNA (0.44) KMT2AMEN1POLBADRB2SMN1; SMN2
Fumaric Acid SCHEMBL9681228 0.77 LMNA (0.44) KMT2AMEN1POLBADRB2SMN1; SMN2

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
US-5134236-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-07-28 US disclosed
US-4999356-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-03-12 US disclosed
EP-0302423-A2 1-Phenyl-3-(1-piperazinyl)-1h-indazoles, a process and intermediates for their preparation, and the use thereof as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-02-08 EP disclosed