SCHEMBL31336073

SCHEMBL31336073

CC(Oc1ccc(F)cc1)c1ccc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.34
GRM5 P41594 1/20 0.34
APLNR P35414 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
MET P08581 1/20 0.32
JAK2 O60674 2/20 0.32
KMO O15229 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LDHA P00338 1/20 0.31

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
SCHEMBL14966974 0.84 POLB (0.49) ALDH1A1POLBKDM4EHTTGAA
SCHEMBL31336040 0.78 JAK2 (0.39) ALDH1A1GRM5KDM4EHTTGAA
SCHEMBL14967105 0.76 CHRNB2 (0.41) POLBHTTLMNATDP1
SCHEMBL14102858 0.74 GBA1 (0.36) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL31541656 0.74 GBA1 (0.36) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL20525062 0.73 GBA1 (0.33) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL15006213 0.73 GBA1 (0.35) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL18674122 0.71 GBA1 (0.34) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31473349 0.70 S1PR3 (0.35) ALDH1A1KDM4ENPC1RAB9ARXFP1
SCHEMBL17364436 0.70 GBA1 (0.41) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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-119451678-A Inhibition of histone deacetylase 6 (HDAC 6) 艾科尼佐治疗股份有限公司 2025-02-14 CN disclosed
CN-119212707-A Oxadiazole HDAC6 inhibitors and uses thereof 艾科尼佐治疗股份有限公司 2024-12-27 CN disclosed