SCHEMBL11250299

SCHEMBL11250299

CCn1ccnc(Cl)c1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
BRD4 O60885 2/20 0.35
KAT2B Q92831 1/20 0.34
TLR8 Q9NR97 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 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
SCHEMBL29068022 0.85 GRM2 (0.43) KMT2AALDH1A1POLBTLR8
SCHEMBL15888096 0.78 ALDH1A1 (0.41) KMT2AALDH1A1POLBBRD4TLR8
SCHEMBL28941744 0.77 BRD4 (0.34) KMT2AALDH1A1POLBBRD4TLR8
SCHEMBL12636575 0.77 FPR2 (0.46) KMT2AALDH1A1POLBMAPTLMNA
SCHEMBL923857 0.76 KMT2A (0.36) KMT2AALDH1A1POLBBRD4TLR8
SCHEMBL926457 0.76 KMT2A (0.36) KMT2AALDH1A1POLBBRD4TLR8
SCHEMBL9965487 0.76 TLR8 (0.38) KMT2AALDH1A1POLBBRD4TLR8
SCHEMBL923418 0.76 MAPT (0.37) KMT2AALDH1A1POLBTLR8MAPT
SCHEMBL1888098 0.76 FPR2 (0.40) KMT2AALDH1A1POLBMAPTLMNA
SCHEMBL996478 0.74 BRD4 (0.43) KMT2AALDH1A1POLBBRD4MAPT

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-4348518-A Cephalosporins HOFFMANN-LA ROCHE INC. (US) 1982-09-07 US disclosed
US-4091211-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1978-05-23 US disclosed