SCHEMBL30708174

SCHEMBL30708174

CN1CCN(c2cc(F)c3cc(-c4cccc(Cl)c4)c(=O)oc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1B1 Q16678 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
BCL2A1 Q16548 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRAF P15056 1/20 0.39
TP53 P04637 1/20 0.39
KCNA3 P22001 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL27261020 1.00 MIF (0.42) MIFALDH1A1MEN1KMT2ACYP1B1
SCHEMBL27261022 0.88 LMNA (0.44) MIFALDH1A1MEN1KMT2ACYP1B1
SCHEMBL27262423 0.84 PIK3C3 (0.42) MIFALDH1A1CYP1B1CYP1A1CYP1A2
SCHEMBL27261000 0.82 MIF (0.59) MIFALDH1A1KMT2ACYP1B1CYP1A1
SCHEMBL30708190 0.82 MIF (0.59) MIFALDH1A1KMT2ACYP1B1CYP1A1
SCHEMBL15066928 0.80 RXFP1 (0.47) MEN1KMT2ACYP1B1MAPTTP53
SCHEMBL15068550 0.79 RPS6KA3 (0.37) ALDH1A1HRH4LMNA
SCHEMBL15069306 0.77 MAPT (0.44) CYP1B1MAPTTP53LMNAMAOB
SCHEMBL15065848 0.77 HRH4 (0.39) HRH4
SCHEMBL30708198 0.76 CCR4 (0.47) ALDH1A1MEN1KMT2ACYP1B1CYP1A1

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
WO-2024006287-A2 ANTIVIRAL COMPOUNDS USEFUL AGAINST SARS-COV-2 UNIVERSITY OF KANSAS (US) 2024-01-04 WO disclosed