SCHEMBL19975036

SCHEMBL19975036

[N-]=[N+]=NCc1cnc(C2CCN(C(=O)O)CC2)s1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.33
MLYCD O95822 1/20 0.32
KAT2B Q92831 1/20 0.31
OGA O60502 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
ACKR3 P25106 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
SCHEMBL21273278 0.84 LMNA (0.42) SMN1; SMN2
SCHEMBL21381142 0.81 HRH3 (0.38) CCR5MLYCDOGAHTTSMN1; SMN2
SCHEMBL28305432 0.80 OGA (0.30) OGAHTTSMN1; SMN2
SCHEMBL12810893 0.80 CCR5 (0.36) CCR5MLYCDOGAHTTSMN1; SMN2
SCHEMBL19975384 0.80 MLYCD (0.38) CCR5MLYCDOGAHTTSMN1; SMN2
SCHEMBL12810894 0.75 ALDH1A1 (0.47) CCR5OGAHTTSMN1; SMN2UBE2M
SCHEMBL21273270 0.73 PDE10A (0.31)
SCHEMBL19975224 0.73
SCHEMBL19975223 0.73 GPR119 (0.34) CCR5MLYCDOGAHTTSMN1; SMN2
SCHEMBL986413 0.72 UBE2M (0.38) MLYCDHTTUBE2MDCUN1D1

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-3512845-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2019-07-24 EP disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed