SCHEMBL24675205

SCHEMBL24675205

C[C@@H](N)c1cccc(OCCCCCCCN=[N+]=[N-])c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PRSS1 P07477 4/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL15131216 0.83 KDM4E (0.38) KDM4EALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL24675507 0.80 TSHR (0.46) KDM4EALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL15924994 0.79 DRD2 (0.51) KDM4EALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL12810301 0.79 TSHR (0.59) KDM4EALDH1A1LMNASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL11737462 0.79 KCNA3 (0.52) KDM4EALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL26696139 0.77 TSHR (0.53) KDM4ESMN1; SMN2TSHRCYSLTR2CYSLTR1
SCHEMBL24675826 0.77 GGPS1 (0.40) TSHRPRSS1
SCHEMBL24675600 0.77 GGPS1 (0.40) TSHRPRSS1
SCHEMBL24674860 0.77 GGPS1 (0.40) TSHRPRSS1
Hydrochloric Acid SCHEMBL28661273 0.76 TSHR (0.51) KDM4ESMN1; SMN2TSHRCYSLTR2CYSLTR1

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
WO-2022159688-A9 DEGRADERS OF GRK2 AND USES THEREOF SONATA THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
WO-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 WO disclosed