SCHEMBL25680732

SCHEMBL25680732

COCCOc1ncc(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ACACB O00763 1/20 0.37
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RXRA P19793 7/20 0.36
GRIN1 Q05586 7/20 0.36
GRIN2B Q13224 7/20 0.36
TLR7 Q9NYK1 3/20 0.34
LMNA P02545 1/20 0.33
PLAU P00749 1/20 0.33
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 1/20 0.31
NUDT1 P36639 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL18611257 0.94 TSHR (0.36) TSHRACACBCYP1A2CYP3A4ALDH1A1
SCHEMBL16416281 0.80 EDNRA (0.38) TSHRACACB
SCHEMBL20334287 0.80 KDM4E (0.37) TSHRACACBALDH1A1TLR7LMNA
SCHEMBL15677660 0.79 RXRA (0.37) ACACBALDH1A1RXRAGRIN1GRIN2B
SCHEMBL19732845 0.77 SYK (0.39) RXRAGRIN1GRIN2B
Ammonia Solution, Strong SCHEMBL18985316 0.77 RXRA (0.36) ACACBALDH1A1RXRAGRIN1GRIN2B
SCHEMBL15427262 0.77 CYP2D6 (0.39) ACACBCYP1A2CYP3A4RXRAGRIN1
SCHEMBL26152964 0.77 ACACB (0.35) TSHRACACBALDH1A1GRIN1GRIN2B
SCHEMBL6423669 0.76 TSHR (0.41) TSHRACACBTLR7NUDT1
SCHEMBL18578353 0.75 EDNRA (0.38) ACACBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed