SCHEMBL9329784

SCHEMBL9329784

CCc1cc(N)ccc1S(=O)(=O)c1ccc(N)cc1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 4/20 0.41
PRKCI P41743 1/20 0.40
ACHE P22303 1/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
HTR6 P50406 2/20 0.38
MPO P05164 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HSD11B1 P28845 1/20 0.35
NPY1R P25929 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9644228 0.86 L3MBTL1 (0.46) L3MBTL1GAAPRKCIACHETSHR
SCHEMBL155726 0.84 RAPGEF4 (0.45) L3MBTL1GAAPRKCIACHETSHR
SCHEMBL8492152 0.84 L3MBTL1 (0.44) L3MBTL1GAAPRKCIACHETSHR
SCHEMBL9313745 0.82 RAPGEF4 (0.44) L3MBTL1GAAPRKCIACHETSHR
SCHEMBL9313738 0.82 L3MBTL1 (0.43) L3MBTL1GAAPRKCIACHECA12
SCHEMBL4639283 0.81 ALDH1A1 (0.42) L3MBTL1GAAPRKCIACHETSHR
SCHEMBL11792557 0.79 L3MBTL1 (0.39) L3MBTL1GAAPRKCIACHETSHR
Methylamine SCHEMBL28132703 0.78 RAPGEF4 (0.41) L3MBTL1GAATSHRCYP3A4CA12
SCHEMBL11591018 0.77 CA12 (0.54) L3MBTL1TSHRLMNACA12CA1
SCHEMBL4138945 0.77 RAPGEF4 (0.42) L3MBTL1GAATSHRALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359340-B1 Spirodilactam polymers SHELL INT RESEARCH (NL) 1994-03-16 EP disclosed
US-5093465-A Polyamide containing spirodilactam moieties SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5093500-A Spirodilactam bisimides SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5061780-A Poly(ether-bis-imide-spiro dilactam) polymer SHELL OIL COMPANY (US) 1991-10-29 US disclosed
US-5034504-A Spirodilactam polyamide polymer SHELL OIL COMPANY (US) 1991-07-23 US disclosed
US-5028688-A Polyamideimide polymers SHELL OIL COMPANY (US) 1991-07-02 US disclosed
US-4978736-A Polyamideimide polymers SHELL OIL COMPANY (US) 1990-12-18 US disclosed
US-4968770-A Polyamide from spirodilactam precursor and primary diamine SHELL OIL COMPANY (US) 1990-11-06 US disclosed
US-4968812-A Spirolactonelactams SHELL OIL COMPANY (US) 1990-11-06 US disclosed
US-4927906-A Novel polyamideimide polymers SHELL OIL COMPANY (US) 1990-05-22 US disclosed
EP-0359340-A2 Spirodilactam polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-03-21 EP disclosed