SCHEMBL7477997

SCHEMBL7477997

O=C(Nc1cccc(F)c1)Nc1nnc(SC(c2ccccc2)C2CC2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
TP53 P04637 2/20 0.60
MTOR P42345 1/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
NTRK1 P04629 1/20 0.44
NTRK2 Q16620 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
KCNJ6 P48051 1/20 0.42
KCNJ3 P48549 1/20 0.42
PAX8 Q06710 1/20 0.41
NLRP3 Q96P20 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7482445 0.82 MAPT (0.63) MAPTTP53MTORNPC1RAB9A
SCHEMBL7474057 0.80 MAPT (0.61) MAPTTP53MTORNPC1RAB9A
SCHEMBL7484584 0.79 ALDH1A1 (0.44) MAPTTP53NPC1RAB9ALMNA
SCHEMBL7480875 0.78 MAPT (0.58) MAPTTP53MTORNPC1RAB9A
SCHEMBL7476148 0.76 MAPT (0.61) MAPTTP53NPC1RAB9ANTRK1
SCHEMBL7483976 0.76 MAPT (0.53) MAPTTP53MTORNPC1RAB9A
SCHEMBL7477984 0.74 MAPT (0.56) MAPTTP53NPC1RAB9ANTRK1
SCHEMBL7476548 0.74 MAPT (0.54) MAPTTP53NPC1RAB9ANTRK1
SCHEMBL7478008 0.74 MAPT (0.63) MAPTTP53NPC1RAB9ANTRK1
SCHEMBL7478572 0.73 MAPT (0.57) MAPTTP53NPC1RAB9ANTRK1

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