SCHEMBL29018989

SCHEMBL29018989

NC(=O)Cc1cccc[n+]1-[n+]1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
APOBEC3A P31941 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
PARP1 P09874 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL29018990 0.83 NR4A2 (0.36) MAPTCYP2C19HSD17B10KDM4EMEN1
SCHEMBL5322137 0.74 ALDH1A1 (0.46) MAPTHSD17B10KDM4EMEN1ALDH1A1
Iodide SCHEMBL8962417 0.69 TP53 (0.41) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9819618 0.69 KDM4E (0.38) KDM4EMEN1ALDH1A1HPGDAPOBEC3A
SCHEMBL11147037 0.67 HDAC8 (0.31)
SCHEMBL16566021 0.66 CA2 (0.52) KDM4EALDH1A1HPGDCA2TSHR
SCHEMBL25676 0.65 CES1 (0.64) MEN1ALDH1A1KMT2ACA2L3MBTL1
Benzene SCHEMBL15265833 0.65 AKR1B1 (0.50) MAPTCYP2C19HSD17B10CA2POLB
Hydrochloric Acid SCHEMBL1621316 0.63 CES1 (0.61) MEN1ALDH1A1KMT2ACA2L3MBTL1
Hydrochloric Acid SCHEMBL3651517 0.63 CES1 (0.61) MEN1ALDH1A1KMT2ACA2L3MBTL1

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
CN-116285944-A Stable electrochromic solution and application thereof 深圳市华科创智技术有限公司 2023-06-23 CN claimed
CN-116285944-A Stable electrochromic solution and application thereof 深圳市华科创智技术有限公司 2023-06-23 CN disclosed