SCHEMBL23633819

SCHEMBL23633819

Cc1ccccc1N(I)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
TRPA1 O75762 1/20 0.30
ATM Q13315 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL15852976 0.76 ACHE (0.43) ACHETSHRSIGMAR1LMNACYP3A4
SCHEMBL20650360 0.75 TSHR (0.47) ACHETSHRSIGMAR1LMNACYP3A4
SCHEMBL13145800 0.74 ACHE (0.41) ACHETSHRSIGMAR1LMNACYP3A4
SCHEMBL7123510 0.73 ACHE (0.45) ACHETSHRSIGMAR1LMNACYP3A4
SCHEMBL21740771 0.70 LMNA (0.41) ACHETSHRSIGMAR1LMNACYP3A4
SCHEMBL21740880 0.70 ACHE (0.36) ACHETSHRSIGMAR1LMNACYP3A4
SCHEMBL516435 0.69 TSHR (0.53) ACHETSHRSIGMAR1LMNACYP3A4
SCHEMBL29521738 0.69 TSHR (0.53) ACHETSHRSIGMAR1LMNACYP3A4
SCHEMBL20650050 0.69 TSHR (0.39) ACHETSHRLMNAALDH1A1TDP1
SCHEMBL21547555 0.69 KMT2A (0.38) TSHRLMNACYP3A4ALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11063220-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-07-13 US disclosed