SCHEMBL11000199

SCHEMBL11000199

CCn1cc(C(=O)OC2CC2)c(=O)c2cc(F)c(S(=O)(=O)c3ccc(C)cc3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ATP6V1B2 P21281 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ EDNRA P25101 1/20 0.41
▸ TARBP2 Q15633 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39

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
SCHEMBL10654948 0.82 ADRB2 (0.46) ALDH1A1TSHRHPGDMAPTTHRB
SCHEMBL10996251 0.80 LMNA (0.48) ALDH1A1TSHRHPGDMAPTTHRB
SCHEMBL11283380 0.77 ALDH1A1 (0.51) ALDH1A1TSHRHPGDMAPTTHRB
SCHEMBL10929161 0.72 ADRB2 (0.45) ALDH1A1HPGDLMNAKMT2AKDM4E
SCHEMBL7158963 0.72 KDM4E (0.49) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL10548813 0.71 ALDH1A1 (0.46) ALDH1A1TSHRHPGDMAPTTHRB
SCHEMBL9837371 0.70 LMNA (0.60) ALDH1A1TSHRHPGDLMNACYP2C9
SCHEMBL11047766 0.69 LMNA (0.50) ALDH1A1TSHRHPGDMAPTTHRB
SCHEMBL11200215 0.69 KMT2A (0.48) ALDH1A1TSHRHPGDMAPTTHRB
SCHEMBL3977245 0.69 ALDH1A1 (0.53) ALDH1A1TSHRHPGDMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0132845-A2 Novel 1,8-Naphthyridine derivatives, and process for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1985-02-13 — — EP disclosed
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