SCHEMBL28880289

SCHEMBL28880289

COC(CCC#N)CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
CYP1A2 P05177 2/20 0.36
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33

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
SCHEMBL28880207 0.82 GABRP (0.38) SLC1A2GABRPGABRDGABRA1GABRB1
SCHEMBL11803807 0.76 HDAC1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11838982 0.74 TSHR (0.33) SLC1A2TSHR
SCHEMBL9558856 0.74 MMP12 (0.49) SLC1A2GABRPGABRDGABRA1GABRB1
SCHEMBL3453636 0.74 FOLH1 (0.43) SLC1A2GABRPGABRDGABRA1GABRB1
SCHEMBL11805570 0.73 AKR1B1 (0.46) TSHRALDH1A1
SCHEMBL653330 0.72 GABRP (0.41) SLC1A2GABRPGABRDGABRA1GABRB1
SCHEMBL29041505 0.71 FOLH1 (0.43) SLC1A2GABRPGABRDGABRA1GABRB1
SCHEMBL29530823 0.71 SLC1A2 (0.58) SLC1A2FOLH1GRM3
SCHEMBL29199879 0.70 ALOX15 (0.39) SLC1A2GABRPGABRDGABRA1GABRB1

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
CN-113549077-B Production process of 4-chloropyrrolo [2,3-d ] pyrimidine 浙江倍合德制药有限公司 2022-11-11 CN disclosed
CN-113549077-B Production process of 4-chloropyrrolo [2,3-d ] pyrimidine 浙江倍合德制药有限公司 2022-11-11 CN disclosed