SCHEMBL8601638

SCHEMBL8601638

N=C(N)NCc1ccc(OCCC2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
XIAP P98170 1/20 0.41
GID4 Q8IVV7 1/20 0.41
GSK3B P49841 3/20 0.40
ADK P55263 2/20 0.40
TP53 P04637 1/20 0.39
FAAH O00519 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR6 P50406 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8552777 0.92 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2XIAPGSK3B
SCHEMBL8603405 0.92 TSHR (0.42) TSHRALDH1A1SMN1; SMN2XIAPGSK3B
SCHEMBL8557746 0.87 TSHR (0.45) TSHRALDH1A1SMN1; SMN2XIAPGSK3B
SCHEMBL7465291 0.87 TSHR (0.46) TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL8604456 0.86 TSHR (0.45) TSHRALDH1A1SMN1; SMN2XIAPGID4
SCHEMBL7469178 0.85 LMNA (0.42) TSHRALDH1A1SMN1; SMN2TP53KMT2A
SCHEMBL7475653 0.85 ALDH1A1 (0.42) TSHRALDH1A1SMN1; SMN2GSK3BADK
SCHEMBL8555175 0.85 FAAH (0.50) TSHRALDH1A1SMN1; SMN2XIAPGID4
SCHEMBL7465815 0.84 TSHR (0.40) TSHRALDH1A1SMN1; SMN2XIAPTP53
SCHEMBL8604688 0.84 GSK3B (0.40) TSHRALDH1A1SMN1; SMN2XIAPGSK3B

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
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed