SCHEMBL28111736

SCHEMBL28111736

CC(C)c1cc(NCCO)nnc1C(=O)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 1.00
CNR1 P21554 1/20 0.50
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.40

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
SCHEMBL28111732 0.73 CNR2 (0.78) CNR2NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL26898604 0.66 ALDH1A1 (0.58) CNR2CNR1NPC1TSHRRAB9A
SCHEMBL13272853 0.63 CNR2 (0.49) CNR2NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL24956358 0.63 NPC1 (0.56) CNR2NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL26403348 0.62 NPC1 (0.51) CNR2CNR1NPC1TSHRRAB9A
SCHEMBL2174664 0.61 MEN1 (0.56) CNR2
SCHEMBL13816273 0.61 CNR2 (0.59) CNR2NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL28836147 0.61 CNR2 (0.60) CNR2NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL26397783 0.61 KDM5A (0.63) NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL9978790 0.60 KMT2A (0.69) NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN claimed
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN disclosed