SCHEMBL25319984

SCHEMBL25319984

CC(C)(C)CCC(=O)Oc1c(N)cccc1F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
KRAS P01116 1/20 0.32
HDAC1 Q13547 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A4 P14672 1/20 0.31
NLRP3 Q96P20 1/20 0.31
CHEK1 O14757 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
MPO P05164 1/20 0.30

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
SCHEMBL15018821 0.84 CHEK1 (0.35) SMN1; SMN2ALDH1A1GAATSHRCHEK1
SCHEMBL28397444 0.84 BCL9 (0.38) KMT2AHDAC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL25320420 0.83 KMT2A (0.37) KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL28559470 0.82 BCL9 (0.37) KMT2AHDAC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL25322244 0.82 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL7390728 0.80 ACHE (0.43) KMT2AHDAC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL25322639 0.80 NAMPT (0.37) HDAC1SMN1; SMN2KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL28408986 0.80 KCNH2 (0.33) KMT2ASMN1; SMN2KDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL28159059 0.79 ACHE (0.42) KMT2AHDAC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL25319801 0.75 AAK1 (0.35) KMT2ASMN1; SMN2GAASLC2A1SLC2A4

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
EP-4215525-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2023-07-26 EP disclosed
CN-116348109-A Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2023-06-27 CN disclosed