SCHEMBL21765742

SCHEMBL21765742

O=C(O)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.48
▸ DHODH Q02127 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ NR4A1 P22736 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ NR4A3 Q92570 1/20 0.44
▸ SIGMAR1 Q99720 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ DAO P14920 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ SLC16A3 O15427 2/20 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
SCHEMBL21765825 0.95 TSHR (0.45) TSHRDHODHPOLBNR4A1NR4A2
SCHEMBL21760728 0.94 TSHR (0.44) TSHRDHODHPOLBNR4A1NR4A2
SCHEMBL24865277 0.88 SIGMAR1 (0.42) TSHRNR4A1NR4A2NR4A3SIGMAR1
SCHEMBL4893902 0.86 SIGMAR1 (0.50) TSHRNR4A1NR4A2NR4A3SIGMAR1
SCHEMBL4580501 0.86 SIGMAR1 (0.50) TSHRNR4A1NR4A2NR4A3SIGMAR1
SCHEMBL21760724 0.84 KMO (0.43) NR4A1NR4A2NR4A3SIGMAR1CDC25B
SCHEMBL21760725 0.84 KMO (0.43) NR4A1NR4A2NR4A3SIGMAR1CDC25B
SCHEMBL12119474 0.84 SIGMAR1 (0.49) TSHRSIGMAR1TDP1MEN1KMT2A
SCHEMBL13720623 0.84 SIGMAR1 (0.49) TSHRSIGMAR1TDP1MEN1KMT2A
SCHEMBL13020766 0.84 SIGMAR1 (0.49) TSHRSIGMAR1TDP1MEN1KMT2A

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-11637256-B2 Quantum dots with charge-transporting ligands NANOSYS, INC. (US) 2023-04-25 — — US disclosed
US-20200067006-A1 QUANTUM DOTS WITH CHARGE-TRANSPORTING LIGANDS NANOSYS, INC. (US) 2020-02-27 — — US disclosed
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