SCHEMBL28021153

SCHEMBL28021153

Cc1cccc(N)c1-n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ CYP3A4 P08684 7/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ CYP1A2 P05177 5/20 0.42
▸ CYP2D6 P10635 5/20 0.42
▸ CYP2C19 P33261 5/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ IDO1 P14902 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CD44 P16070 1/20 0.39

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
SCHEMBL7649005 0.87 CYP3A4 (0.50) LMNAMAPTCYP3A4CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL28521741 0.85 CYP3A4 (0.48) LMNAMAPTCYP3A4CYP11B1CYP11B2
SCHEMBL10918314 0.79 IDO1 (0.54) LMNAMAPTCYP3A4CYP11B1CYP11B2
SCHEMBL27551317 0.79 CYP3A4 (0.43) LMNAMAPTCYP3A4CYP11B1CYP11B2
SCHEMBL8331908 0.79 CYP3A4 (0.49) LMNAMAPTCYP3A4CYP11B1CYP11B2
SCHEMBL27497351 0.79 LMNA (0.49) LMNAMAPTCYP3A4CYP11B1CYP11B2
SCHEMBL30758085 0.77 DPP4 (0.49) MAPTCYP3A4CYP1A2CYP2C19TDP1
SCHEMBL8334506 0.77 CYP11B1 (0.47) LMNAMAPTCYP3A4CYP11B1CYP11B2
SCHEMBL8335624 0.77 CYP19A1 (0.50) LMNAMAPTCYP3A4CYP11B1CYP11B2
SCHEMBL5319522 0.76 CYP3A4 (0.45) LMNAMAPTCYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104841257-B Safe formaldehyde removing solution, and preparation method thereof 张家港大塚化学有限公司 2017-04-19 — — CN claimed
CN-104841257-A Safe formaldehyde removing solution, and preparation method thereof Zhangjiagang otsuka chemical co ltd 2015-08-19 — — CN claimed
CN-104841257-B Safe formaldehyde removing solution, and preparation method thereof 张家港大塚化学有限公司 2017-04-19 — — CN disclosed
CN-104841257-A Safe formaldehyde removing solution, and preparation method thereof Zhangjiagang otsuka chemical co ltd 2015-08-19 — — CN disclosed
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