SCHEMBL8890569

SCHEMBL8890569

O=C(NCCc1ccc(Cl)cc1)NSc1nc2ccccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
LMNA P02545 4/20 0.55
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
HPGD P15428 1/20 0.46
CNR1 P21554 3/20 0.45
NPC1 O15118 1/20 0.45
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45

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
SCHEMBL6957950 0.90 LMNA (0.50) KMT2ALMNARECQLSMN1; SMN2RAB9A
SCHEMBL6952292 0.88 LMNA (0.53) KMT2ALMNARECQLSMN1; SMN2RAB9A
SCHEMBL6957933 0.86 KMT2A (0.56) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL6950919 0.86 LMNA (0.45) KMT2ALMNARECQLSMN1; SMN2GAA
SCHEMBL6963530 0.84 HTT (0.44) KMT2ALMNASMN1; SMN2KDM4EHPGD
SCHEMBL6958370 0.84 ALDH1A1 (0.48) KMT2ALMNASMN1; SMN2KDM4ERAB9A
SCHEMBL6963954 0.83 HTT (0.42) KMT2ALMNASMN1; SMN2KDM4EHPGD
SCHEMBL6964701 0.82 KMT2A (0.43) KMT2ALMNARECQLSMN1; SMN2MEN1
SCHEMBL6962998 0.82 NPC1 (0.47) KMT2ALMNARECQLSMN1; SMN2RAB9A
SCHEMBL6964188 0.82 MPO (0.51) KMT2ALMNARECQLSMN1; SMN2RAB9A

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
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed