SCHEMBL11238254

SCHEMBL11238254

O=C(NCCCN1CCOCC1)c1cc2cc(S(=O)(=O)Nc3ccccc3)ccc2cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
PKM P14618 1/20 0.56
POLB P06746 4/20 0.56
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
BDKRB1 P46663 1/20 0.50

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
SCHEMBL4580300 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EPOLBHPGDTSHR
Hydrochloric Acid SCHEMBL10348659 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL10336968 0.82 KDM4E (0.64) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL11238408 0.79 LMNA (0.69) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL10683676 0.78 CA1 (0.52) ALDH1A1KDM4EPKMPOLBHPGD
SCHEMBL4579225 0.78 LMNA (0.61) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL8356152 0.78 CYP1A2 (0.68) ALDH1A1KDM4EHPGDTSHRMAOA
SCHEMBL10983258 0.75 GPR27 (0.63) ALDH1A1POLBMEN1KMT2A
SCHEMBL11341388 0.75 KDM4E (0.54) ALDH1A1KDM4EHPGDTSHRMAOA
SCHEMBL7320733 0.75 DRD3 (0.61) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334004-A Light-sensitive diazotype material with 2-hydroxy-3-naphthoic acid amides having 6-sulfonic acid amide substitution HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-08 US claimed
US-4321373-A 2-Hydroxy-3-naphthoic acid amides HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-23 US claimed
US-4334004-A Light-sensitive diazotype material with 2-hydroxy-3-naphthoic acid amides having 6-sulfonic acid amide substitution HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-08 US disclosed
US-4321373-A 2-Hydroxy-3-naphthoic acid amides HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-23 US disclosed