SCHEMBL22679506

SCHEMBL22679506

Cc1cc(-c2ccc(C(C)(C)C)cc2)cc(I)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.43
▸ TP53 P04637 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KIF11 P52732 4/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ MITF O75030 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXRB P28702 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ DGAT1 O75907 1/20 0.35

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
SCHEMBL21678295 0.89 KIF11 (0.45) POLBALDH1A1TP53TSHRTDP1
SCHEMBL2329256 0.87 POLB (0.61) POLBALDH1A1TP53TSHRCYP3A4
SCHEMBL22197798 0.79 POLB (0.67) POLBALDH1A1TP53TSHRCYP3A4
SCHEMBL23319641 0.72 KIF11 (0.61) ALDH1A1TP53TSHRTDP1KIF11
SCHEMBL4322427 0.72 KIF11 (0.61) ALDH1A1TP53TSHRTDP1KIF11
SCHEMBL8954034 0.72 ALDH1A1 (0.82) POLBALDH1A1TP53TSHRCYP3A4
SCHEMBL18161362 0.72 KIF11 (0.47) ALDH1A1TP53TSHRCYP3A4KIF11
SCHEMBL7240621 0.72 NPC1 (0.49) POLBALDH1A1TP53TSHRKIF11
SCHEMBL25515089 0.71 KIF11 (0.50) ALDH1A1TP53TSHRKIF11NPC1
SCHEMBL13523402 0.71 KIF11 (0.50) ALDH1A1TP53TSHRTDP1KIF11

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-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 — — US disclosed
US-20200365812-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 — — US disclosed
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