SCHEMBL22172225

SCHEMBL22172225

Clc1ccc2c(c1)[nH]c1c2c2ccccc2c2ccc3c4ccccc4[nH]c3c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 6/20 0.59
▸ CCND1 P24385 6/20 0.59
▸ CAMK2B Q13554 4/20 0.59
▸ CAMK2G Q13555 4/20 0.59
▸ CAMK2D Q13557 4/20 0.59
▸ CAMK2A Q9UQM7 4/20 0.59
▸ CCNE2 O96020 3/20 0.59
▸ CCNE1 P24864 3/20 0.59
▸ CDK2 P24941 3/20 0.59
▸ GABRP O00591 2/20 0.56
▸ GABRD O14764 2/20 0.56
▸ GABRA1 P14867 2/20 0.56
▸ GABRB1 P18505 2/20 0.56
▸ GABRG2 P18507 2/20 0.56
▸ GABRB3 P28472 2/20 0.56
▸ GABRA5 P31644 2/20 0.56
▸ GABRA3 P34903 2/20 0.56
▸ GABRA2 P47869 2/20 0.56
▸ GABRB2 P47870 2/20 0.56
▸ GABRA4 P48169 2/20 0.56

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
SCHEMBL22019241 0.92 CDK4 (0.59) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL20392899 0.89 CDK4 (0.56) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL20392900 0.87 CDK4 (0.57) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL22172096 0.84 CDK4 (0.58) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL18435754 0.82 GABRP (0.70) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL30324458 0.82 GABRP (0.70) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL22155547 0.81 CDK4 (0.51) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL20392901 0.80 GABRP (0.49) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL4670015 0.80 AHR (0.64) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL30659227 0.80 AHR (0.64) CDK4CCND1CAMK2BCAMK2GCAMK2D

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
WO-2020138726-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-07-02 — — WO disclosed
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