SCHEMBL9220581

SCHEMBL9220581

[c]1ccsc1-n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.38
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NOTUM Q6P988 1/20 0.36
CYP2A6 P11509 1/20 0.35
IDO1 P14902 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP19A1 P11511 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL2228160 0.68 CYP3A4 (0.41) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL245104 0.65 CYP3A4 (0.42) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL5535789 0.65 NOTUM (0.40) LMNAMAPTNOTUMMEN1KMT2A
SCHEMBL3787426 0.64 LMNA (0.47) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL16923117 0.64 CYP3A4 (0.54) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL7644186 0.63 CYP3A4 (0.48) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL27590600 0.61 CYP3A4 (0.47) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL8721409 0.61 IDO1 (0.46) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL297505 0.61 CYP3A4 (0.52) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL8066952 0.61 CYP3A4 (0.43) CYP3A4LMNAMAPTENPP2MKNK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492178-B1 Naphthoic acid derivative FUJIREBIO KK (JP) 1995-10-04 EP disclosed
US-5324728-A Lipoxygenase inhibiting antiallergens FUJIREBIO INC. (JP) 1994-06-28 US disclosed
EP-0492178-A2 Naphthoic acid derivative FUJIREBIO INC. (JP) 1992-07-01 EP disclosed