SCHEMBL27645751

SCHEMBL27645751

N=C(N)c1ccc(C(=O)O)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
SRD5A2 P31213 2/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PYGL P06737 3/20 0.44
TTR P02766 1/20 0.44
ALOX15 P16050 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PLAU P00749 2/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NEU3 Q9UQ49 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6808287 0.85 TSHR (0.55) TSHRSRD5A2ALDH1A1CASP1SMN1; SMN2
SCHEMBL15855876 0.85 TSHR (0.61) TSHRSRD5A2ALDH1A1MAPTCASP1
SCHEMBL5248866 0.82 KDM4E (0.48) TSHRSRD5A2ALDH1A1MAPTPOLB
SCHEMBL30162746 0.82 TSHR (0.68) TSHRSRD5A2ALDH1A1MAPTCASP1
SCHEMBL68294 0.82 TSHR (0.68) TSHRSRD5A2ALDH1A1MAPTCASP1
Hydrochloric Acid SCHEMBL1681859 0.80 TSHR (0.65) TSHRSRD5A2ALDH1A1MAPTCASP1
Hydrochloric Acid SCHEMBL943311 0.80 TSHR (0.65) TSHRSRD5A2ALDH1A1MAPTCASP1
SCHEMBL22991263 0.80 ALDH1A1 (0.54) TSHRALDH1A1MAPTCASP1SMN1; SMN2
SCHEMBL22335212 0.79 CDC25B (0.46) TSHRALDH1A1MAPTCASP1SMN1; SMN2
SCHEMBL5900757 0.79 KMT2A (0.50) ALDH1A1PLAUF2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1753683-B Ophthalmic formulation for the prevention and treatment of ocular conditions CHAKSHU RES INC 2010-05-26 CN claimed
CN-1753683-A Ophthalmic formulation for the prevention and treatment of ocular conditions CHAKSHU RES INC (US) 2006-03-29 CN claimed
CN-1753683-B Ophthalmic formulation for the prevention and treatment of ocular conditions CHAKSHU RES INC 2010-05-26 CN disclosed
CN-101304727-A Treatment of disorders associated with the presence of macromolecular aggregates, particularly ophthalmic diseases CHAKSHU RES INC (US) 2008-11-12 CN disclosed
CN-101262886-A Formulation and method for administration of ophthalmologically active agents CHAKSHU RES INC (US) 2008-09-10 CN disclosed
CN-1753683-A Ophthalmic formulation for the prevention and treatment of ocular conditions CHAKSHU RES INC (US) 2006-03-29 CN disclosed