SCHEMBL29623328

SCHEMBL29623328

O=C(Cc1c[nH]c2ccccc12)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
LMNA P02545 3/20 0.61
PKM P14618 3/20 0.61
HRH3 Q9Y5N1 4/20 0.60
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
STAT3 P40763 1/20 0.56
RAB9A P51151 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GLA P06280 1/20 0.55
IDO1 P14902 1/20 0.55
CCKBR P32239 1/20 0.55
ANO1 Q5XXA6 1/20 0.54
MAPK8 P45983 1/20 0.54
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL23175238 1.00 MAPT (0.61) MAPTLMNAPKMHRH3ALDH1A1
SCHEMBL28373402 0.90 KCNJ5 (0.62) MAPTLMNAPKMHRH3ALDH1A1
SCHEMBL11189753 0.88 HRH3 (0.67) MAPTLMNAPKMHRH3ALDH1A1
SCHEMBL23175240 0.87 GPR84 (0.54) MAPTLMNAPKMHSD17B10ANO1
SCHEMBL31218207 0.85 HRH3 (0.67) MAPTLMNAHRH3ALDH1A1MEN1
SCHEMBL7807900 0.85 HRH3 (0.67) MAPTLMNAHRH3ALDH1A1MEN1
SCHEMBL28373040 0.84 MAPT (0.65) MAPTLMNAPKMHRH3ALDH1A1
SCHEMBL28373392 0.83 MAPT (0.59) MAPTLMNAPKMHRH3ALDH1A1
SCHEMBL27333111 0.81 HRH3 (0.67) MAPTLMNAHRH3ALDH1A1MEN1
SCHEMBL28167956 0.81 KMT2A (0.76) MAPTLMNAHRH3ALDH1A1MEN1

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-114555583-B Compounds and their use in the treatment of autoimmune diseases 帕连齐玛生物技术株式会社 2025-01-28 CN disclosed
CN-114555583-A Novel compounds and their use in the treatment of autoimmune diseases 帕连齐玛生物技术株式会社 2022-05-27 CN disclosed