SCHEMBL7477400

SCHEMBL7477400

O=C(Nc1cc(Cl)cc(Cl)c1)Nc1nnc(SCc2cccnc2)s1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.64
MEN1 O00255 5/20 0.64
LMNA P02545 3/20 0.64
GAA P10253 2/20 0.64
MAPT P10636 3/20 0.61
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.53
ABL1 P00519 6/20 0.52
SRC P12931 6/20 0.52
POLB P06746 5/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
NTRK1 P04629 1/20 0.49
NTRK2 Q16620 1/20 0.49

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
SCHEMBL7482874 0.92 LMNA (0.62) KMT2AMEN1LMNAGAAMAPT
SCHEMBL7481013 0.84 MAPT (0.63) KMT2AMEN1LMNAGAAMAPT
SCHEMBL7479841 0.82 NTRK1 (0.60) KMT2AMEN1LMNAGAAMAPT
SCHEMBL7487945 0.82 BLM (0.61) KMT2AMEN1LMNAGAAMAPT
SCHEMBL7488953 0.78 KMT2A (0.57) KMT2AMEN1LMNAGAAMAPT
SCHEMBL10667217 0.74 POLB (0.53) KMT2AMEN1LMNAGAAMAPT
SCHEMBL7476339 0.72 MAPT (0.67) KMT2AMEN1LMNAGAAMAPT
SCHEMBL11623690 0.70 ABL1 (0.74) KMT2AMEN1LMNAGAAMAPT
SCHEMBL3467894 0.70 MEN1 (0.62) KMT2AMEN1LMNAGAAMAPT
SCHEMBL7429049 0.70 NTRK1 (0.62) KMT2AMEN1LMNAGAAMAPT

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
WO-1999020617-A1 ANTIINFLAMMATORY THIADIAZOLYL UREAS WHICH ACT AS LFA-1 AND MAC-1 INHIBITORS ACTIVE BIOTECH AB (SE) 1999-04-29 WO claimed
WO-1999020617-A1 ANTIINFLAMMATORY THIADIAZOLYL UREAS WHICH ACT AS LFA-1 AND MAC-1 INHIBITORS ACTIVE BIOTECH AB (SE) 1999-04-29 WO disclosed