SCHEMBL30119783

SCHEMBL30119783

CN(C)CCC(=O)N(CCSc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
SERPINE1 P05121 1/20 0.42
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL30846022 0.78 KDM4E (0.61) RAB9ATP53SMN1; SMN2KMT2AMEN1
SCHEMBL29788411 0.76 KDM4E (0.54) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL14566171 0.74 RAB9A (0.59) RAB9APOLBTP53SERPINE1ALDH1A1
SCHEMBL30726019 0.74 RAB9A (0.48) RAB9APOLBMAPTSERPINE1
SCHEMBL11675550 0.70 MAPT (0.49) RAB9APOLBTP53SMN1; SMN2KMT2A
SCHEMBL10914295 0.69 POLB (0.41) RAB9APOLBTP53KMT2AMEN1
SCHEMBL11295147 0.68 HPGD (0.50) RAB9ASMN1; SMN2KMT2ASERPINE1THRB
SCHEMBL5174350 0.67 ALDH1A1 (0.61) SMN1; SMN2SERPINE1ALDH1A1
SCHEMBL14174760 0.67 CNR2 (0.59) RAB9ATP53SMN1; SMN2KMT2AMEN1
SCHEMBL27191704 0.66 HPGD (0.57) RAB9ASMN1; SMN2KMT2AMEN1MAPT

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
CN-113156113-B System for evaluating ADE effect of novel coronavirus in vitro and construction method thereof 中日友好医院(中日友好临床医学研究所) 2023-02-07 CN disclosed