SCHEMBL21998137

SCHEMBL21998137

NCC1(CCNC(=O)O)CCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
CACNA2D1 P54289 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PRMT3 O60678 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL2770951 0.80 USP2 (0.48) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6871920 0.79 ALDH1A1 (0.53) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL14459791 0.78 ALDH1A1 (0.47) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL25338490 0.77 MEN1 (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL5402831 0.77 ALDH1A1 (0.46) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL8211734 0.74 LMNA (0.57) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL27451626 0.74 USP2 (0.43) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL27182185 0.73 USP2 (0.37) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL23086623 0.73 CYP4F2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL15140431 0.71 CYP2D6 (0.30) CYP2D6

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
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed